CID 119056946

3-phenyl-1,2-thiazole-4-sulfonyl chloride

Structural Information

Molecular Formula
C9H6ClNO2S2
SMILES
C1=CC=C(C=C1)C2=NSC=C2S(=O)(=O)Cl
InChI
InChI=1S/C9H6ClNO2S2/c10-15(12,13)8-6-14-11-9(8)7-4-2-1-3-5-7/h1-6H
InChIKey
GRJJOXYMJFRZFS-UHFFFAOYSA-N
Compound name
3-phenyl-1,2-thiazole-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.95285 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.960126 152.7
[M+Na]+ 281.942068 164.6
[M-H]- 257.945574 159.4
[M+NH4]+ 276.986673 171.9
[M+K]+ 297.916008 158.7
[M+H-H2O]+ 241.950110 147.8
[M+HCOO]- 303.951051 162.5
[M+CH3COO]- 317.966701 185.9
[M+Na-2H]- 279.927516 154.8
[M]+ 258.95230142 157.7
[M]- 258.95339858 157.7
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.