CID 19359683

2-(2-chlorothiophen-3-yl)ethan-1-ol

Structural Information

Molecular Formula
C6H7ClOS
SMILES
C1=CSC(=C1CCO)Cl
InChI
InChI=1S/C6H7ClOS/c7-6-5(1-3-8)2-4-9-6/h2,4,8H,1,3H2
InChIKey
CKHVYZQTDLYVET-UHFFFAOYSA-N
Compound name
2-(2-chlorothiophen-3-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
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 129.6
[M+Na]+ 184.97984 139.8
[M-H]- 160.98334 132.8
[M+NH4]+ 180.02444 153.3
[M+K]+ 200.95378 135.7
[M+H-H2O]+ 144.98788 126.2
[M+HCOO]- 206.98882 144.7
[M+CH3COO]- 221.00447 170.7
[M+Na-2H]- 182.96529 131.9
[M]+ 161.99007 133.1
[M]- 161.99117 133.1
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

patents stripe