CID 66793

4-methoxy-2-nitroaniline

Structural Information

Molecular Formula
C7H8N2O3
SMILES
COC1=CC(=C(C=C1)N)[N+](=O)[O-]
InChI
InChI=1S/C7H8N2O3/c1-12-5-2-3-6(8)7(4-5)9(10)11/h2-4H,8H2,1H3
InChIKey
QFMJFXFXQAFGBO-UHFFFAOYSA-N
Compound name
4-methoxy-2-nitroaniline
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

5
References

2114
Patents

168.0535 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.06078 130.2
[M+Na]+ 191.04272 138.2
[M-H]- 167.04622 134.1
[M+NH4]+ 186.08732 149.7
[M+K]+ 207.01666 133.1
[M+H-H2O]+ 151.05076 129.1
[M+HCOO]- 213.05170 157.2
[M+CH3COO]- 227.06735 174.8
[M+Na-2H]- 189.02817 138.3
[M]+ 168.05295 128.7
[M]- 168.05405 128.7
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

patents stripe