CID 232596

2-chloro-1,1-diphenylethanol

Structural Information

Molecular Formula
C14H13ClO
SMILES
C1=CC=C(C=C1)C(CCl)(C2=CC=CC=C2)O
InChI
InChI=1S/C14H13ClO/c15-11-14(16,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,16H,11H2
InChIKey
OIWPMKVQRVMTQU-UHFFFAOYSA-N
Compound name
2-chloro-1,1-diphenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

232.06549 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.07277 150.2
[M+Na]+ 255.05471 157.7
[M-H]- 231.05821 155.3
[M+NH4]+ 250.09931 168.0
[M+K]+ 271.02865 151.9
[M+H-H2O]+ 215.06275 144.4
[M+HCOO]- 277.06369 167.2
[M+CH3COO]- 291.07934 185.7
[M+Na-2H]- 253.04016 158.0
[M]+ 232.06494 150.6
[M]- 232.06604 150.6
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