CID 78856

2-(3-chlorophenyl)ethanol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

828
Patents

156.0342 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.04148 128.3
[M+Na]+ 179.02342 137.4
[M-H]- 155.02692 130.8
[M+NH4]+ 174.06802 149.8
[M+K]+ 194.99736 133.4
[M+H-H2O]+ 139.03146 124.2
[M+HCOO]- 201.03240 147.4
[M+CH3COO]- 215.04805 172.7
[M+Na-2H]- 177.00887 135.5
[M]+ 156.03365 129.7
[M]- 156.03475 129.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.