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

38
Patents

432.1489 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.156176 202.3
[M+Na]+ 455.138118 209.4
[M-H]- 431.141624 195.1
[M+NH4]+ 450.182723 212.0
[M+K]+ 471.112058 203.6
[M+H-H2O]+ 415.146160 188.9
[M+HCOO]- 477.147101 219.6
[M+CH3COO]- 491.162751 227.6
[M+Na-2H]- 453.123566 195.6
[M]+ 432.14835142 203.3
[M]- 432.14944858 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