CID 75776

2-methoxy-4-nitrobenzoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

530
Patents

197.03242 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.03970 136.6
[M+Na]+ 220.02164 148.8
[M+NH4]+ 215.06624 143.3
[M+K]+ 235.99558 147.5
[M-H]- 196.02514 138.0
[M+Na-2H]- 218.00709 141.5
[M]+ 197.03187 138.4
[M]- 197.03297 138.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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