CID 7245

2-chlorophenol

Structural Information

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

2D Structure

compound 2d structure
9
Annotation Hits

541
References

74426
Patents

128.0029 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.01018 118.8
[M+Na]+ 150.99212 128.8
[M-H]- 126.99562 121.7
[M+NH4]+ 146.03672 141.4
[M+K]+ 166.96606 125.3
[M+H-H2O]+ 111.00016 115.2
[M+HCOO]- 173.00110 138.6
[M+CH3COO]- 187.01675 166.6
[M+Na-2H]- 148.97757 127.2
[M]+ 128.00235 119.5
[M]- 128.00345 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