CID 2736979

215434-25-6

Structural Information

Molecular Formula
C8H6ClNO2S3
SMILES
CC1=NC(=CS1)C2=CC=C(S2)S(=O)(=O)Cl
InChI
InChI=1S/C8H6ClNO2S3/c1-5-10-6(4-13-5)7-2-3-8(14-7)15(9,11)12/h2-4H,1H3
InChIKey
YIKNRCVJBOLZFL-UHFFFAOYSA-N
Compound name
5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

105
Patents

278.92493 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.932206 160.8
[M+Na]+ 301.914148 175.1
[M-H]- 277.917654 168.1
[M+NH4]+ 296.958753 181.3
[M+K]+ 317.888088 168.5
[M+H-H2O]+ 261.922190 157.4
[M+HCOO]- 323.923131 167.4
[M+CH3COO]- 337.938781 174.1
[M+Na-2H]- 299.899596 159.6
[M]+ 278.92438142 167.5
[M]- 278.92547858 167.5
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