CID 65239269

4,5-dimethylthiophene-2-carbonyl chloride

Structural Information

Molecular Formula
C7H7ClOS
SMILES
CC1=C(SC(=C1)C(=O)Cl)C
InChI
InChI=1S/C7H7ClOS/c1-4-3-6(7(8)9)10-5(4)2/h3H,1-2H3
InChIKey
SWGONTQHQACHEN-UHFFFAOYSA-N
Compound name
4,5-dimethylthiophene-2-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.99062 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.99790 132.4
[M+Na]+ 196.97984 143.4
[M-H]- 172.98334 137.3
[M+NH4]+ 192.02444 156.5
[M+K]+ 212.95378 139.9
[M+H-H2O]+ 156.98788 128.9
[M+HCOO]- 218.98882 147.8
[M+CH3COO]- 233.00447 177.4
[M+Na-2H]- 194.96529 132.9
[M]+ 173.99007 137.2
[M]- 173.99117 137.2
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.