CID 92898

2-chloro-1-phenylethanol

Structural Information

Molecular Formula
C8H9ClO
SMILES
C1=CC=C(C=C1)C(CCl)O
InChI
InChI=1S/C8H9ClO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H,6H2
InChIKey
XWCQSILTDPAWDP-UHFFFAOYSA-N
Compound name
2-chloro-1-phenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

909
Patents

156.0342 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.04148 128.9
[M+Na]+ 179.02342 142.6
[M+NH4]+ 174.06802 138.6
[M+K]+ 194.99736 135.5
[M-H]- 155.02692 131.2
[M+Na-2H]- 177.00887 136.8
[M]+ 156.03365 131.8
[M]- 156.03475 131.8
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