CID 12652108

2,5-dichloro-4-methylphenol

Structural Information

Molecular Formula
C7H6Cl2O
SMILES
CC1=CC(=C(C=C1Cl)O)Cl
InChI
InChI=1S/C7H6Cl2O/c1-4-2-6(9)7(10)3-5(4)8/h2-3,10H,1H3
InChIKey
BJXGQFCETVDSHR-UHFFFAOYSA-N
Compound name
2,5-dichloro-4-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

175.97957 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.986846 128.1
[M+Na]+ 198.968788 139.9
[M-H]- 174.972294 130.8
[M+NH4]+ 194.013393 149.8
[M+K]+ 214.942728 134.7
[M+H-H2O]+ 158.976830 125.6
[M+HCOO]- 220.977771 142.4
[M+CH3COO]- 234.993421 176.9
[M+Na-2H]- 196.954236 133.8
[M]+ 175.97902142 130.9
[M]- 175.98011858 130.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe