CID 74075

Phenol, chlorodimethyl-

Structural Information

Molecular Formula
C8H9ClO
SMILES
CC1=C(C=CC(=C1C)Cl)O
InChI
InChI=1S/C8H9ClO/c1-5-6(2)8(10)4-3-7(5)9/h3-4,10H,1-2H3
InChIKey
CFCVHJRJEWDVOG-UHFFFAOYSA-N
Compound name
4-chloro-2,3-dimethylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

528
Patents

156.0342 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.04148 126.8
[M+Na]+ 179.02342 137.9
[M-H]- 155.02692 130.2
[M+NH4]+ 174.06802 149.0
[M+K]+ 194.99736 134.0
[M+H-H2O]+ 139.03146 123.4
[M+HCOO]- 201.03240 146.0
[M+CH3COO]- 215.04805 175.0
[M+Na-2H]- 177.00887 132.8
[M]+ 156.03365 129.1
[M]- 156.03475 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