CID 6617

Phenaglycodol

Structural Information

Molecular Formula
C11H15ClO2
SMILES
CC(C)(C(C)(C1=CC=C(C=C1)Cl)O)O
InChI
InChI=1S/C11H15ClO2/c1-10(2,13)11(3,14)8-4-6-9(12)7-5-8/h4-7,13-14H,1-3H3
InChIKey
HTYIXCKSEQQCJO-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-3-methylbutane-2,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

30
References

3172
Patents

214.07605 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.08333 147.2
[M+Na]+ 237.06527 159.2
[M+NH4]+ 232.10987 155.0
[M+K]+ 253.03921 154.1
[M-H]- 213.06877 147.3
[M+Na-2H]- 235.05072 153.0
[M]+ 214.07550 149.3
[M]- 214.07660 149.3
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