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]+ 174.997896 132.4
[M+Na]+ 196.979838 143.4
[M-H]- 172.983344 137.3
[M+NH4]+ 192.024443 156.5
[M+K]+ 212.953778 139.9
[M+H-H2O]+ 156.987880 128.9
[M+HCOO]- 218.988821 147.8
[M+CH3COO]- 233.004471 177.4
[M+Na-2H]- 194.965286 132.9
[M]+ 173.99007142 137.2
[M]- 173.99116858 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.