CID 131373275

3-amino-2-chloro-4-nitrophenol

Structural Information

Molecular Formula
C6H5ClN2O3
SMILES
C1=CC(=C(C(=C1[N+](=O)[O-])N)Cl)O
InChI
InChI=1S/C6H5ClN2O3/c7-5-4(10)2-1-3(6(5)8)9(11)12/h1-2,10H,8H2
InChIKey
CUIGRZMBBYEDPZ-UHFFFAOYSA-N
Compound name
3-amino-2-chloro-4-nitrophenol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

1
Patents

187.99887 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.006146 132.5
[M+Na]+ 210.988088 141.8
[M-H]- 186.991594 135.1
[M+NH4]+ 206.032693 151.4
[M+K]+ 226.962028 134.3
[M+H-H2O]+ 170.996130 133.2
[M+HCOO]- 232.997071 153.7
[M+CH3COO]- 247.012721 174.1
[M+Na-2H]- 208.973536 139.3
[M]+ 187.99832142 131.2
[M]- 187.99941858 131.2
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