CID 45075736

Perfluorodecanoic anhydride

Structural Information

Molecular Formula
C20F38O3
SMILES
C(=O)(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OC(=O)C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C20F38O3/c21-3(22,5(25,26)7(29,30)9(33,34)11(37,38)13(41,42)15(45,46)17(49,50)19(53,54)55)1(59)61-2(60)4(23,24)6(27,28)8(31,32)10(35,36)12(39,40)14(43,44)16(47,48)18(51,52)20(56,57)58
InChIKey
ZMOVGRSTRJMBKT-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecanoyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

25
Patents

1009.9241 Da
Monoisotopic Mass

12.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1010.9314 248.8
[M+Na]+ 1032.9133 250.4
[M-H]- 1008.9168 263.3
[M+NH4]+ 1027.9579 261.8
[M+K]+ 1048.8873 265.6
[M+H-H2O]+ 992.92136 237.4
[M+HCOO]- 1054.9223 259.7
[M+CH3COO]- 1068.9380 276.0
[M+Na-2H]- 1030.8988 252.2
[M]+ 1009.9236 243.6
[M]- 1009.9246 243.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe