CID 88266

19819-95-5

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

549
Patents

156.0342 Da
Monoisotopic Mass

2.1
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

literature stripe

Patent stripe

patents stripe