CID 122163904

2-cyclopropyl-1,3-thiazole-5-sulfonyl chloride

Structural Information

Molecular Formula
C6H6ClNO2S2
SMILES
C1CC1C2=NC=C(S2)S(=O)(=O)Cl
InChI
InChI=1S/C6H6ClNO2S2/c7-12(9,10)5-3-8-6(11-5)4-1-2-4/h3-4H,1-2H2
InChIKey
WBZWPZZUWVCREP-UHFFFAOYSA-N
Compound name
2-cyclopropyl-1,3-thiazole-5-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

222.95285 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.96013 138.0
[M+Na]+ 245.94207 150.1
[M-H]- 221.94557 144.6
[M+NH4]+ 240.98667 153.5
[M+K]+ 261.91601 144.8
[M+H-H2O]+ 205.95011 133.0
[M+HCOO]- 267.95105 147.5
[M+CH3COO]- 281.96670 183.3
[M+Na-2H]- 243.92752 139.6
[M]+ 222.95230 144.6
[M]- 222.95340 144.6
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