CID 5070078

3-amino-4-chlorophenol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

479
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 124.0
[M+Na]+ 166.00302 134.1
[M-H]- 142.00652 126.6
[M+NH4]+ 161.04762 145.7
[M+K]+ 181.97696 130.1
[M+H-H2O]+ 126.01106 120.3
[M+HCOO]- 188.01200 144.2
[M+CH3COO]- 202.02765 171.9
[M+Na-2H]- 163.98847 130.7
[M]+ 143.01325 123.4
[M]- 143.01435 123.4
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