CID 80133391

3-(5-chlorothiophen-2-yl)cyclobutan-1-one

Structural Information

Molecular Formula
C8H7ClOS
SMILES
C1C(CC1=O)C2=CC=C(S2)Cl
InChI
InChI=1S/C8H7ClOS/c9-8-2-1-7(11-8)5-3-6(10)4-5/h1-2,5H,3-4H2
InChIKey
FCRGCAWKBCYZER-UHFFFAOYSA-N
Compound name
3-(5-chlorothiophen-2-yl)cyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.99062 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.997896 126.1
[M+Na]+ 208.979838 134.9
[M-H]- 184.983344 133.4
[M+NH4]+ 204.024443 142.9
[M+K]+ 224.953778 133.7
[M+H-H2O]+ 168.987880 117.0
[M+HCOO]- 230.988821 140.8
[M+CH3COO]- 245.004471 181.1
[M+Na-2H]- 206.965286 127.5
[M]+ 185.99007142 137.6
[M]- 185.99116858 137.6
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.