CID 4684

4-chlorophenol

Structural Information

Molecular Formula
C6H5ClO
SMILES
C1=CC(=CC=C1O)Cl
InChI
InChI=1S/C6H5ClO/c7-5-1-3-6(8)4-2-5/h1-4,8H
InChIKey
WXNZTHHGJRFXKQ-UHFFFAOYSA-N
Compound name
4-chlorophenol
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

1270
References

65107
Patents

128.0029 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.01018 118.8
[M+Na]+ 150.99212 133.7
[M+NH4]+ 146.03672 129.0
[M+K]+ 166.96606 126.5
[M-H]- 126.99562 121.5
[M+Na-2H]- 148.97757 127.5
[M]+ 128.00235 122.1
[M]- 128.00345 122.1
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