CID 87184

4-amino-3-chlorophenol

Structural Information

Molecular Formula
C6H6ClNO
SMILES
C1=CC(=C(C=C1O)Cl)N
InChI
InChI=1S/C6H6ClNO/c7-5-3-4(9)1-2-6(5)8/h1-3,9H,8H2
InChIKey
PNLPXABQLXSICH-UHFFFAOYSA-N
Compound name
4-amino-3-chlorophenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

3447
Patents

143.0138 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.02108 123.0
[M+Na]+ 166.00302 136.6
[M+NH4]+ 161.04762 132.5
[M+K]+ 181.97696 130.3
[M-H]- 142.00652 125.8
[M+Na-2H]- 163.98847 130.5
[M]+ 143.01325 126.0
[M]- 143.01435 126.0
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