CID 25493

Benzenemethanol, dichloro-

Structural Information

Molecular Formula
C7H6Cl2O
SMILES
C1=CC=C(C=C1)C(O)(Cl)Cl
InChI
InChI=1S/C7H6Cl2O/c8-7(9,10)6-4-2-1-3-5-6/h1-5,10H
InChIKey
DFTKKYALBJHNLT-UHFFFAOYSA-N
Compound name
dichloro(phenyl)methanol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

8
References

3910
Patents

175.97957 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.986846 130.4
[M+Na]+ 198.968788 139.8
[M-H]- 174.972294 132.3
[M+NH4]+ 194.013393 151.2
[M+K]+ 214.942728 134.8
[M+H-H2O]+ 158.976830 127.4
[M+HCOO]- 220.977771 143.1
[M+CH3COO]- 234.993421 173.9
[M+Na-2H]- 196.954236 138.6
[M]+ 175.97902142 131.6
[M]- 175.98011858 131.6
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