CID 50988932

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

Structural Information

Molecular Formula
C9H6ClNO2S2
SMILES
C1=CC=C(C=C1)C2=NC(=CS2)S(=O)(=O)Cl
InChI
InChI=1S/C9H6ClNO2S2/c10-15(12,13)8-6-14-9(11-8)7-4-2-1-3-5-7/h1-6H
InChIKey
VZEAPYOMDBBPGZ-UHFFFAOYSA-N
Compound name
2-phenyl-1,3-thiazole-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.95285 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.96013 152.7
[M+Na]+ 281.94207 164.6
[M-H]- 257.94557 159.4
[M+NH4]+ 276.98667 171.9
[M+K]+ 297.91601 158.7
[M+H-H2O]+ 241.95011 147.8
[M+HCOO]- 303.95105 162.5
[M+CH3COO]- 317.96670 185.9
[M+Na-2H]- 279.92752 154.8
[M]+ 258.95230 157.7
[M]- 258.95340 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.