CID 80289053

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

Structural Information

Molecular Formula
C8H9ClOS
SMILES
C1CC(C1)(C2=CC=C(S2)Cl)O
InChI
InChI=1S/C8H9ClOS/c9-7-3-2-6(11-7)8(10)4-1-5-8/h2-3,10H,1,4-5H2
InChIKey
BULIFWACEWSKMZ-UHFFFAOYSA-N
Compound name
1-(5-chlorothiophen-2-yl)cyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.00627 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.01355 128.3
[M+Na]+ 210.99549 136.4
[M-H]- 186.99899 134.2
[M+NH4]+ 206.04009 146.1
[M+K]+ 226.96943 134.8
[M+H-H2O]+ 171.00353 120.3
[M+HCOO]- 233.00447 141.5
[M+CH3COO]- 247.02012 177.9
[M+Na-2H]- 208.98094 131.3
[M]+ 188.00572 138.7
[M]- 188.00682 138.7
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.