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]+ 186.99790 126.1
[M+Na]+ 208.97984 134.9
[M-H]- 184.98334 133.4
[M+NH4]+ 204.02444 142.9
[M+K]+ 224.95378 133.7
[M+H-H2O]+ 168.98788 117.0
[M+HCOO]- 230.98882 140.8
[M+CH3COO]- 245.00447 181.1
[M+Na-2H]- 206.96529 127.5
[M]+ 185.99007 137.6
[M]- 185.99117 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.