CID 72207441

1363383-08-7

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.