CID 7169969

857284-28-7

Structural Information

Molecular Formula
C11H5ClF3NOS
SMILES
C1=CC(=CC=C1C2=NC(=CS2)C(=O)Cl)C(F)(F)F
InChI
InChI=1S/C11H5ClF3NOS/c12-9(17)8-5-18-10(16-8)6-1-3-7(4-2-6)11(13,14)15/h1-5H
InChIKey
UTJDFPDNFUKZIS-UHFFFAOYSA-N
Compound name
2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

290.97324 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.98052 154.9
[M+Na]+ 313.96246 166.2
[M-H]- 289.96596 157.5
[M+NH4]+ 309.00706 172.6
[M+K]+ 329.93640 160.3
[M+H-H2O]+ 273.97050 146.6
[M+HCOO]- 335.97144 164.9
[M+CH3COO]- 349.98709 195.1
[M+Na-2H]- 311.94791 155.0
[M]+ 290.97269 155.8
[M]- 290.97379 155.8
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