CID 4348294

2-amino-4-chloro-6-nitrophenol

Structural Information

Molecular Formula
C6H5ClN2O3
SMILES
C1=C(C=C(C(=C1N)O)[N+](=O)[O-])Cl
InChI
InChI=1S/C6H5ClN2O3/c7-3-1-4(8)6(10)5(2-3)9(11)12/h1-2,10H,8H2
InChIKey
MHAFRUMLQZZSIN-UHFFFAOYSA-N
Compound name
2-amino-4-chloro-6-nitrophenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

505
Patents

187.99887 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.00615 132.5
[M+Na]+ 210.98809 141.8
[M-H]- 186.99159 135.1
[M+NH4]+ 206.03269 151.4
[M+K]+ 226.96203 134.3
[M+H-H2O]+ 170.99613 133.2
[M+HCOO]- 232.99707 153.7
[M+CH3COO]- 247.01272 174.1
[M+Na-2H]- 208.97354 139.3
[M]+ 187.99832 131.2
[M]- 187.99942 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