CID 74647

1875-88-3

Structural Information

Molecular Formula
C8H9ClO
SMILES
C1=CC(=CC=C1CCO)Cl
InChI
InChI=1S/C8H9ClO/c9-8-3-1-7(2-4-8)5-6-10/h1-4,10H,5-6H2
InChIKey
HZFRKZWBVUJYDA-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1432
Patents

156.0342 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.04148 128.1
[M+Na]+ 179.02342 142.5
[M+NH4]+ 174.06802 137.9
[M+K]+ 194.99736 134.8
[M-H]- 155.02692 130.7
[M+Na-2H]- 177.00887 136.1
[M]+ 156.03365 131.2
[M]- 156.03475 131.2
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