CID 70757

2,4-dichloro-5-methylphenol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

175.97957 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.98685 128.8
[M+Na]+ 198.96879 144.6
[M+NH4]+ 194.01339 138.7
[M+K]+ 214.94273 136.9
[M-H]- 174.97229 131.3
[M+Na-2H]- 196.95424 136.6
[M]+ 175.97902 132.5
[M]- 175.98012 132.5
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

No patent data available for this compound.