CID 22630493

80220-63-9

Structural Information

Molecular Formula
C10H6F17O3P
SMILES
C(CP(=O)(O)O)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
InChI
InChI=1S/C10H6F17O3P/c11-3(12,1-2-31(28,29)30)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h1-2H2,(H2,28,29,30)
InChIKey
CETXMCMQEXPPLV-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

166
Patents

527.97833 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 528.98561 172.1
[M+Na]+ 550.96755 174.8
[M-H]- 526.97105 180.0
[M+NH4]+ 546.01215 179.8
[M+K]+ 566.94149 182.5
[M+H-H2O]+ 510.97559 153.3
[M+HCOO]- 572.97653 191.5
[M+CH3COO]- 586.99218 237.1
[M+Na-2H]- 548.95300 168.0
[M]+ 527.97778 168.7
[M]- 527.97888 168.7
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