CID 2723

4-chloro-3,5-dimethylphenol

Structural Information

Molecular Formula
C8H9ClO
SMILES
CC1=CC(=CC(=C1Cl)C)O
InChI
InChI=1S/C8H9ClO/c1-5-3-7(10)4-6(2)8(5)9/h3-4,10H,1-2H3
InChIKey
OSDLLIBGSJNGJE-UHFFFAOYSA-N
Compound name
4-chloro-3,5-dimethylphenol
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

255
References

39133
Patents

156.0342 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.04148 127.2
[M+Na]+ 179.02342 142.5
[M+NH4]+ 174.06802 137.1
[M+K]+ 194.99736 135.2
[M-H]- 155.02692 130.0
[M+Na-2H]- 177.00887 134.9
[M]+ 156.03365 130.6
[M]- 156.03475 130.6
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