CID 13300035

2-methoxy-6-nitrobenzoic acid

Structural Information

Molecular Formula
C8H7NO5
SMILES
COC1=CC=CC(=C1C(=O)O)[N+](=O)[O-]
InChI
InChI=1S/C8H7NO5/c1-14-6-4-2-3-5(9(12)13)7(6)8(10)11/h2-4H,1H3,(H,10,11)
InChIKey
ORPBIIFFJYJUHR-UHFFFAOYSA-N
Compound name
2-methoxy-6-nitrobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

197.03242 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.039696 135.8
[M+Na]+ 220.021638 143.6
[M-H]- 196.025144 138.8
[M+NH4]+ 215.066243 153.6
[M+K]+ 235.995578 138.7
[M+H-H2O]+ 180.029680 134.8
[M+HCOO]- 242.030621 160.2
[M+CH3COO]- 256.046271 175.0
[M+Na-2H]- 218.007086 142.6
[M]+ 197.03187142 136.0
[M]- 197.03296858 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