CID 14534836

Perfluoro-2,9-dimethyldecane

Structural Information

Molecular Formula
C12F26
SMILES
C(C(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C12F26/c13-1(9(27,28)29,10(30,31)32)3(15,16)5(19,20)7(23,24)8(25,26)6(21,22)4(17,18)2(14,11(33,34)35)12(36,37)38
InChIKey
QXTVEUMPQVYRDN-UHFFFAOYSA-N
Compound name
1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-icosafluoro-2,9-bis(trifluoromethyl)decane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

637.9585 Da
Monoisotopic Mass

9.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 638.96578 185.0
[M+Na]+ 660.94772 189.1
[M-H]- 636.95122 194.9
[M+NH4]+ 655.99232 196.0
[M+K]+ 676.92166 202.1
[M+H-H2O]+ 620.95576 172.4
[M+HCOO]- 682.95670 203.8
[M+CH3COO]- 696.97235 254.8
[M+Na-2H]- 658.93317 187.5
[M]+ 637.95795 182.8
[M]- 637.95905 182.8
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

No patent data available for this compound.