CID 132398571

3-cyclopropylthiophene-2-sulfonyl chloride

Structural Information

Molecular Formula
C7H7ClO2S2
SMILES
C1CC1C2=C(SC=C2)S(=O)(=O)Cl
InChI
InChI=1S/C7H7ClO2S2/c8-12(9,10)7-6(3-4-11-7)5-1-2-5/h3-5H,1-2H2
InChIKey
BUQFVMRVXTUIDF-UHFFFAOYSA-N
Compound name
3-cyclopropylthiophene-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.9576 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.96488 135.6
[M+Na]+ 244.94682 147.3
[M-H]- 220.95032 143.5
[M+NH4]+ 239.99142 152.4
[M+K]+ 260.92076 142.1
[M+H-H2O]+ 204.95486 131.3
[M+HCOO]- 266.95580 146.0
[M+CH3COO]- 280.97145 183.7
[M+Na-2H]- 242.93227 137.4
[M]+ 221.95705 142.4
[M]- 221.95815 142.4
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.