CID 12015195

2-methoxy-3-nitrobenzoic acid

Structural Information

Molecular Formula
C8H7NO5
SMILES
COC1=C(C=CC=C1[N+](=O)[O-])C(=O)O
InChI
InChI=1S/C8H7NO5/c1-14-7-5(8(10)11)3-2-4-6(7)9(12)13/h2-4H,1H3,(H,10,11)
InChIKey
GMSYODOBBOEWCM-UHFFFAOYSA-N
Compound name
2-methoxy-3-nitrobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

220
Patents

197.03242 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.03970 135.8
[M+Na]+ 220.02164 143.6
[M-H]- 196.02514 138.8
[M+NH4]+ 215.06624 153.6
[M+K]+ 235.99558 138.7
[M+H-H2O]+ 180.02968 134.8
[M+HCOO]- 242.03062 160.2
[M+CH3COO]- 256.04627 175.0
[M+Na-2H]- 218.00709 142.6
[M]+ 197.03187 136.0
[M]- 197.03297 136.0
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

patents stripe