CID 6950741

135145-34-5

Structural Information

Molecular Formula
C8H9ClO
SMILES
C[C@@H](C1=CC(=CC=C1)Cl)O
InChI
InChI=1S/C8H9ClO/c1-6(10)7-3-2-4-8(9)5-7/h2-6,10H,1H3/t6-/m0/s1
InChIKey
QYUQVBHGBPRDKN-LURJTMIESA-N
Compound name
(1S)-1-(3-chlorophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

104
Patents

156.0342 Da
Monoisotopic Mass

2.4
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