CID 23149887

2-bromo-4-(trifluoromethyl)thiazole

Structural Information

Molecular Formula
C4HBrF3NS
SMILES
C1=C(N=C(S1)Br)C(F)(F)F
InChI
InChI=1S/C4HBrF3NS/c5-3-9-2(1-10-3)4(6,7)8/h1H
InChIKey
NZNVGMVYUYNBOM-UHFFFAOYSA-N
Compound name
2-bromo-4-(trifluoromethyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

394
Patents

230.89651 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.90379 130.3
[M+Na]+ 253.88573 145.5
[M-H]- 229.88923 133.0
[M+NH4]+ 248.93033 153.6
[M+K]+ 269.85967 134.2
[M+H-H2O]+ 213.89377 129.2
[M+HCOO]- 275.89471 144.5
[M+CH3COO]- 289.91036 182.6
[M+Na-2H]- 251.87118 135.1
[M]+ 230.89596 147.1
[M]- 230.89706 147.1
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