CID 167496

15930-84-4

Structural Information

Molecular Formula
C8H10NO6P
SMILES
CC1=C(C=CC(=C1)OP(=O)(O)OC)[N+](=O)[O-]
InChI
InChI=1S/C8H10NO6P/c1-6-5-7(15-16(12,13)14-2)3-4-8(6)9(10)11/h3-5H,1-2H3,(H,12,13)
InChIKey
PFGNIZHUAOEYKD-UHFFFAOYSA-N
Compound name
methyl (3-methyl-4-nitrophenyl) hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.02457 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.03185 147.1
[M+Na]+ 270.01379 154.7
[M-H]- 246.01729 149.3
[M+NH4]+ 265.05839 163.7
[M+K]+ 285.98773 150.5
[M+H-H2O]+ 230.02183 144.1
[M+HCOO]- 292.02277 176.3
[M+CH3COO]- 306.03842 183.5
[M+Na-2H]- 267.99924 154.1
[M]+ 247.02402 150.2
[M]- 247.02512 150.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.