CID 67357137

2-(bromomethyl)-4-(trifluoromethyl)thiazole

Structural Information

Molecular Formula
C5H3BrF3NS
SMILES
C1=C(N=C(S1)CBr)C(F)(F)F
InChI
InChI=1S/C5H3BrF3NS/c6-1-4-10-3(2-11-4)5(7,8)9/h2H,1H2
InChIKey
FTAQKCNVIXDZFC-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-4-(trifluoromethyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

244.91217 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.919446 134.9
[M+Na]+ 267.901388 149.7
[M-H]- 243.904894 137.4
[M+NH4]+ 262.945993 157.6
[M+K]+ 283.875328 138.1
[M+H-H2O]+ 227.909430 133.6
[M+HCOO]- 289.910371 148.7
[M+CH3COO]- 303.926021 185.4
[M+Na-2H]- 265.886836 139.2
[M]+ 244.91162142 152.0
[M]- 244.91271858 152.0
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