CID 70747

2,6-dimethyl-4-chlorophenol

Structural Information

Molecular Formula
C8H9ClO
SMILES
CC1=CC(=CC(=C1O)C)Cl
InChI
InChI=1S/C8H9ClO/c1-5-3-7(9)4-6(2)8(5)10/h3-4,10H,1-2H3
InChIKey
VWYKSJIPZHRLNO-UHFFFAOYSA-N
Compound name
4-chloro-2,6-dimethylphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

314
Patents

156.0342 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.041476 126.8
[M+Na]+ 179.023418 137.9
[M-H]- 155.026924 130.2
[M+NH4]+ 174.068023 149.0
[M+K]+ 194.997358 134.0
[M+H-H2O]+ 139.031460 123.4
[M+HCOO]- 201.032401 146.0
[M+CH3COO]- 215.048051 175.0
[M+Na-2H]- 177.008866 132.8
[M]+ 156.03365142 129.1
[M]- 156.03474858 129.1
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