CID 26082

1-(2-chlorophenyl)ethanol

Structural Information

Molecular Formula
C8H9ClO
SMILES
CC(C1=CC=CC=C1Cl)O
InChI
InChI=1S/C8H9ClO/c1-6(10)7-4-2-3-5-8(7)9/h2-6,10H,1H3
InChIKey
DDUBOVLGCYUYFX-UHFFFAOYSA-N
Compound name
1-(2-chlorophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

846
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 128.2
[M+Na]+ 179.02342 137.1
[M-H]- 155.02692 130.8
[M+NH4]+ 174.06802 149.7
[M+K]+ 194.99736 133.6
[M+H-H2O]+ 139.03146 124.3
[M+HCOO]- 201.03240 146.4
[M+CH3COO]- 215.04805 173.5
[M+Na-2H]- 177.00887 134.2
[M]+ 156.03365 129.1
[M]- 156.03475 129.1
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