CID 121000

Dimethyl 2-methyl-4-nitrophenyl phosphate

Structural Information

Molecular Formula
C9H12NO6P
SMILES
CC1=C(C=CC(=C1)[N+](=O)[O-])OP(=O)(OC)OC
InChI
InChI=1S/C9H12NO6P/c1-7-6-8(10(11)12)4-5-9(7)16-17(13,14-2)15-3/h4-6H,1-3H3
InChIKey
ZVUYQNPSXYOERO-UHFFFAOYSA-N
Compound name
dimethyl (2-methyl-4-nitrophenyl) phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.04022 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.047496 151.7
[M+Na]+ 284.029438 159.4
[M-H]- 260.032944 155.2
[M+NH4]+ 279.074043 168.5
[M+K]+ 300.003378 155.8
[M+H-H2O]+ 244.037480 148.2
[M+HCOO]- 306.038421 182.0
[M+CH3COO]- 320.054071 189.3
[M+Na-2H]- 282.014886 158.7
[M]+ 261.03967142 157.0
[M]- 261.04076858 157.0
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.