CID 121000

1085-24-1

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]+ 262.04750 150.3
[M+Na]+ 284.02944 161.6
[M+NH4]+ 279.07404 156.0
[M+K]+ 300.00338 160.9
[M-H]- 260.03294 150.9
[M+Na-2H]- 282.01489 154.6
[M]+ 261.03967 151.7
[M]- 261.04077 151.7
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.