CID 46779622

5-isopropylthiophene-3-carbonyl chloride

Structural Information

Molecular Formula
C8H9ClOS
SMILES
CC(C)C1=CC(=CS1)C(=O)Cl
InChI
InChI=1S/C8H9ClOS/c1-5(2)7-3-6(4-11-7)8(9)10/h3-5H,1-2H3
InChIKey
JEHWKRSHTDZAOW-UHFFFAOYSA-N
Compound name
5-propan-2-ylthiophene-3-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.00627 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.01355 137.9
[M+Na]+ 210.99549 147.4
[M-H]- 186.99899 142.4
[M+NH4]+ 206.04009 161.1
[M+K]+ 226.96943 144.0
[M+H-H2O]+ 171.00353 134.1
[M+HCOO]- 233.00447 152.0
[M+CH3COO]- 247.02012 180.1
[M+Na-2H]- 208.98094 137.5
[M]+ 188.00572 142.2
[M]- 188.00682 142.2
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.