CID 77578

4-amino-2-chlorophenol

Structural Information

Molecular Formula
C6H6ClNO
SMILES
C1=CC(=C(C=C1N)Cl)O
InChI
InChI=1S/C6H6ClNO/c7-5-3-4(8)1-2-6(5)9/h1-3,9H,8H2
InChIKey
ZYZQSCWSPFLAFM-UHFFFAOYSA-N
Compound name
4-amino-2-chlorophenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

4968
Patents

143.0138 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.021076 124.0
[M+Na]+ 166.003018 134.1
[M-H]- 142.006524 126.6
[M+NH4]+ 161.047623 145.7
[M+K]+ 181.976958 130.1
[M+H-H2O]+ 126.011060 120.3
[M+HCOO]- 188.012001 144.2
[M+CH3COO]- 202.027651 171.9
[M+Na-2H]- 163.988466 130.7
[M]+ 143.01325142 123.4
[M]- 143.01434858 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