CID 118604

Benzenemethanol, 2,5-dichloro-

Structural Information

Molecular Formula
C7H6Cl2O
SMILES
C1=CC(=C(C=C1Cl)CO)Cl
InChI
InChI=1S/C7H6Cl2O/c8-6-1-2-7(9)5(3-6)4-10/h1-3,10H,4H2
InChIKey
LCEIGNVIDJNUGF-UHFFFAOYSA-N
Compound name
(2,5-dichlorophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

393
Patents

175.97957 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.98685 128.8
[M+Na]+ 198.96879 139.6
[M-H]- 174.97229 131.0
[M+NH4]+ 194.01339 150.1
[M+K]+ 214.94273 134.4
[M+H-H2O]+ 158.97683 125.9
[M+HCOO]- 220.97777 143.1
[M+CH3COO]- 234.99342 175.7
[M+Na-2H]- 196.95424 135.1
[M]+ 175.97902 131.2
[M]- 175.98012 131.2
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