CID 45158975

12-pentafluorophenoxydodecylphosphonic acid

Structural Information

Molecular Formula
C18H26F5O4P
SMILES
C(CCCCCCP(=O)(O)O)CCCCCOC1=C(C(=C(C(=C1F)F)F)F)F
InChI
InChI=1S/C18H26F5O4P/c19-13-14(20)16(22)18(17(23)15(13)21)27-11-9-7-5-3-1-2-4-6-8-10-12-28(24,25)26/h1-12H2,(H2,24,25,26)
InChIKey
ULXYEINUTVZCLX-UHFFFAOYSA-N
Compound name
12-(2,3,4,5,6-pentafluorophenoxy)dodecylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

432.1489 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.15618 202.3
[M+Na]+ 455.13812 209.4
[M-H]- 431.14162 195.1
[M+NH4]+ 450.18272 212.0
[M+K]+ 471.11206 203.6
[M+H-H2O]+ 415.14616 188.9
[M+HCOO]- 477.14710 219.6
[M+CH3COO]- 491.16275 227.6
[M+Na-2H]- 453.12357 195.6
[M]+ 432.14835 203.3
[M]- 432.14945 203.3
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