CID 379141

141642-62-8

Structural Information

Molecular Formula
C12H23F2O3P
SMILES
CCOP(=O)(C(CC1CCCCC1)(F)F)OCC
InChI
InChI=1S/C12H23F2O3P/c1-3-16-18(15,17-4-2)12(13,14)10-11-8-6-5-7-9-11/h11H,3-10H2,1-2H3
InChIKey
NMDAZSHVIUFTIR-UHFFFAOYSA-N
Compound name
(2-diethoxyphosphoryl-2,2-difluoroethyl)cyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.13528 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.14256 168.7
[M+Na]+ 307.12450 172.3
[M-H]- 283.12800 166.9
[M+NH4]+ 302.16910 184.7
[M+K]+ 323.09844 171.1
[M+H-H2O]+ 267.13254 158.9
[M+HCOO]- 329.13348 188.5
[M+CH3COO]- 343.14913 200.0
[M+Na-2H]- 305.10995 169.3
[M]+ 284.13473 167.2
[M]- 284.13583 167.2
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.