CID 22630498

627909-21-1

Structural Information

Molecular Formula
C15H24F9O3P
SMILES
C(CCCCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)CCCCCP(=O)(O)O
InChI
InChI=1S/C15H24F9O3P/c16-12(17,13(18,19)14(20,21)15(22,23)24)10-8-6-4-2-1-3-5-7-9-11-28(25,26)27/h1-11H2,(H2,25,26,27)
InChIKey
JPMBTOXNRYJYHH-UHFFFAOYSA-N
Compound name
12,12,13,13,14,14,15,15,15-nonafluoropentadecylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

454.13193 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.13921 177.5
[M+Na]+ 477.12115 180.7
[M-H]- 453.12465 175.5
[M+NH4]+ 472.16575 179.7
[M+K]+ 493.09509 182.8
[M+H-H2O]+ 437.12919 161.9
[M+HCOO]- 499.13013 194.9
[M+CH3COO]- 513.14578 227.6
[M+Na-2H]- 475.10660 168.1
[M]+ 454.13138 173.1
[M]- 454.13248 173.1
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