CID 2769668

Perfluoropentanoic anhydride

Structural Information

Molecular Formula
C10F18O3
SMILES
C(=O)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)OC(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10F18O3/c11-3(12,5(15,16)7(19,20)9(23,24)25)1(29)31-2(30)4(13,14)6(17,18)8(21,22)10(26,27)28
InChIKey
YHNMNWOUFKIZLY-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,5-nonafluoropentanoyl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

54
Patents

509.956 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 510.96328 166.6
[M+Na]+ 532.94522 173.3
[M-H]- 508.94872 177.0
[M+NH4]+ 527.98982 179.6
[M+K]+ 548.91916 181.1
[M+H-H2O]+ 492.95326 157.9
[M+HCOO]- 554.95420 184.6
[M+CH3COO]- 568.96985 236.1
[M+Na-2H]- 530.93067 167.4
[M]+ 509.95545 164.9
[M]- 509.95655 164.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe