CID 101643

311-60-4

Structural Information

Molecular Formula
C12H26FO3P
SMILES
CC(C)CC(C)OP(=O)(OC(C)CC(C)C)F
InChI
InChI=1S/C12H26FO3P/c1-9(2)7-11(5)15-17(13,14)16-12(6)8-10(3)4/h9-12H,7-8H2,1-6H3
InChIKey
ZDDNQLMBLHCXLJ-UHFFFAOYSA-N
Compound name
2-[fluoro(4-methylpentan-2-yloxy)phosphoryl]oxy-4-methylpentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.16037 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.16765 168.5
[M+Na]+ 291.14959 172.8
[M-H]- 267.15309 165.7
[M+NH4]+ 286.19419 185.7
[M+K]+ 307.12353 173.5
[M+H-H2O]+ 251.15763 160.4
[M+HCOO]- 313.15857 189.9
[M+CH3COO]- 327.17422 203.6
[M+Na-2H]- 289.13504 164.3
[M]+ 268.15982 173.3
[M]- 268.16092 173.3
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

No patent data available for this compound.