CID 15361441

1-(5-chlorothiophen-2-yl)ethan-1-ol

Structural Information

Molecular Formula
C6H7ClOS
SMILES
CC(C1=CC=C(S1)Cl)O
InChI
InChI=1S/C6H7ClOS/c1-4(8)5-2-3-6(7)9-5/h2-4,8H,1H3
InChIKey
WPAVSEJRMIJWQN-UHFFFAOYSA-N
Compound name
1-(5-chlorothiophen-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

161.99062 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.99790 129.9
[M+Na]+ 184.97984 139.7
[M-H]- 160.98334 133.1
[M+NH4]+ 180.02444 153.5
[M+K]+ 200.95378 136.1
[M+H-H2O]+ 144.98788 126.5
[M+HCOO]- 206.98882 143.9
[M+CH3COO]- 221.00447 171.5
[M+Na-2H]- 182.96529 131.1
[M]+ 161.99007 132.8
[M]- 161.99117 132.8
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