CID 112694796

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

Structural Information

Molecular Formula
C10H5BrF3NS
SMILES
C1=CC=C(C(=C1)C2=CSC(=N2)Br)C(F)(F)F
InChI
InChI=1S/C10H5BrF3NS/c11-9-15-8(5-16-9)6-3-1-2-4-7(6)10(12,13)14/h1-5H
InChIKey
WCXZMILYESDPED-UHFFFAOYSA-N
Compound name
2-bromo-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.92783 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.935106 151.3
[M+Na]+ 329.917048 166.1
[M-H]- 305.920554 156.9
[M+NH4]+ 324.961653 171.7
[M+K]+ 345.890988 153.3
[M+H-H2O]+ 289.925090 149.5
[M+HCOO]- 351.926031 165.2
[M+CH3COO]- 365.941681 196.1
[M+Na-2H]- 327.902496 154.8
[M]+ 306.92728142 168.6
[M]- 306.92837858 168.6
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.