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

95
Patents

278.92493 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.93221 160.8
[M+Na]+ 301.91415 175.1
[M-H]- 277.91765 168.1
[M+NH4]+ 296.95875 181.3
[M+K]+ 317.88809 168.5
[M+H-H2O]+ 261.92219 157.4
[M+HCOO]- 323.92313 167.4
[M+CH3COO]- 337.93878 174.1
[M+Na-2H]- 299.89960 159.6
[M]+ 278.92438 167.5
[M]- 278.92548 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