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]+ 307.93511 151.3
[M+Na]+ 329.91705 166.1
[M-H]- 305.92055 156.9
[M+NH4]+ 324.96165 171.7
[M+K]+ 345.89099 153.3
[M+H-H2O]+ 289.92509 149.5
[M+HCOO]- 351.92603 165.2
[M+CH3COO]- 365.94168 196.1
[M+Na-2H]- 327.90250 154.8
[M]+ 306.92728 168.6
[M]- 306.92838 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.