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
2
Annotation Hits

3
References

1048
Patents

156.0342 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.041476 128.9
[M+Na]+ 179.023418 136.9
[M-H]- 155.026924 131.2
[M+NH4]+ 174.068023 150.1
[M+K]+ 194.997358 133.3
[M+H-H2O]+ 139.031460 124.7
[M+HCOO]- 201.032401 147.1
[M+CH3COO]- 215.048051 172.4
[M+Na-2H]- 177.008866 135.6
[M]+ 156.03365142 129.4
[M]- 156.03474858 129.4
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