CID 228603

2,3-dichlorobenzyl alcohol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

340
Patents

175.97957 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.98685 129.1
[M+Na]+ 198.96879 144.6
[M+NH4]+ 194.01339 139.1
[M+K]+ 214.94273 136.7
[M-H]- 174.97229 131.6
[M+Na-2H]- 196.95424 137.1
[M]+ 175.97902 132.7
[M]- 175.98012 132.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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