CID 7933

3-chlorophenol

Structural Information

Molecular Formula
C6H5ClO
SMILES
C1=CC(=CC(=C1)Cl)O
InChI
InChI=1S/C6H5ClO/c7-5-2-1-3-6(8)4-5/h1-4,8H
InChIKey
HORNXRXVQWOLPJ-UHFFFAOYSA-N
Compound name
3-chlorophenol
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

106
References

17082
Patents

128.0029 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.010176 118.8
[M+Na]+ 150.992118 128.8
[M-H]- 126.995624 121.7
[M+NH4]+ 146.036723 141.4
[M+K]+ 166.966058 125.3
[M+H-H2O]+ 111.000160 115.2
[M+HCOO]- 173.001101 138.6
[M+CH3COO]- 187.016751 166.6
[M+Na-2H]- 148.977566 127.2
[M]+ 128.00235142 119.5
[M]- 128.00344858 119.5
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