CID 167527

3-amino-4-nitrophenol

Structural Information

Molecular Formula
C6H6N2O3
SMILES
C1=CC(=C(C=C1O)N)[N+](=O)[O-]
InChI
InChI=1S/C6H6N2O3/c7-5-3-4(9)1-2-6(5)8(10)11/h1-3,9H,7H2
InChIKey
WGEZJWMZNGUEHR-UHFFFAOYSA-N
Compound name
3-amino-4-nitrophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

285
Patents

154.03784 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.045116 125.3
[M+Na]+ 177.027058 133.3
[M-H]- 153.030564 128.0
[M+NH4]+ 172.071663 144.6
[M+K]+ 193.000998 127.5
[M+H-H2O]+ 137.035100 124.6
[M+HCOO]- 199.036041 151.2
[M+CH3COO]- 213.051691 169.0
[M+Na-2H]- 175.012506 133.5
[M]+ 154.03729142 121.6
[M]- 154.03838858 121.6
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