CID 3039436

Dimethyl 3-fluoro-4-nitrophenyl phosphate

Structural Information

Molecular Formula
C8H9FNO6P
SMILES
COP(=O)(OC)OC1=CC(=C(C=C1)[N+](=O)[O-])F
InChI
InChI=1S/C8H9FNO6P/c1-14-17(13,15-2)16-6-3-4-8(10(11)12)7(9)5-6/h3-5H,1-2H3
InChIKey
KFOIEGHWDPOZMJ-UHFFFAOYSA-N
Compound name
(3-fluoro-4-nitrophenyl) dimethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.01517 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.02245 149.2
[M+Na]+ 288.00439 157.3
[M-H]- 264.00789 151.4
[M+NH4]+ 283.04899 165.7
[M+K]+ 303.97833 153.5
[M+H-H2O]+ 248.01243 144.9
[M+HCOO]- 310.01337 178.8
[M+CH3COO]- 324.02902 189.0
[M+Na-2H]- 285.98984 156.1
[M]+ 265.01462 153.0
[M]- 265.01572 153.0
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.