CID 62620784

1-(5-chlorothiophen-2-yl)propan-2-one

Structural Information

Molecular Formula
C7H7ClOS
SMILES
CC(=O)CC1=CC=C(S1)Cl
InChI
InChI=1S/C7H7ClOS/c1-5(9)4-6-2-3-7(8)10-6/h2-3H,4H2,1H3
InChIKey
HOODHAMESLGVMI-UHFFFAOYSA-N
Compound name
1-(5-chlorothiophen-2-yl)propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

173.99062 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.99790 134.4
[M+Na]+ 196.97984 146.5
[M+NH4]+ 192.02444 144.1
[M+K]+ 212.95378 139.5
[M-H]- 172.98334 136.2
[M+Na-2H]- 194.96529 139.5
[M]+ 173.99007 137.3
[M]- 173.99117 137.3
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