CID 121553610

3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-4-sulfonyl chloride

Structural Information

Molecular Formula
C10H5ClF3NO2S2
SMILES
C1=CC(=CC(=C1)C(F)(F)F)C2=NSC=C2S(=O)(=O)Cl
InChI
InChI=1S/C10H5ClF3NO2S2/c11-19(16,17)8-5-18-15-9(8)6-2-1-3-7(4-6)10(12,13)14/h1-5H
InChIKey
SQPDZDJULXCAFM-UHFFFAOYSA-N
Compound name
3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.94025 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.94753 162.4
[M+Na]+ 349.92947 174.7
[M-H]- 325.93297 165.2
[M+NH4]+ 344.97407 178.9
[M+K]+ 365.90341 167.9
[M+H-H2O]+ 309.93751 154.9
[M+HCOO]- 371.93845 167.3
[M+CH3COO]- 385.95410 197.6
[M+Na-2H]- 347.91492 163.2
[M]+ 326.93970 164.5
[M]- 326.94080 164.5
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

No patent data available for this compound.