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: 39
Patents: 244.91217 Da
Monoisotopic Mass: 2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	245.91945	134.9
[M+Na]+	267.90139	149.7
[M-H]-	243.90489	137.4
[M+NH4]+	262.94599	157.6
[M+K]+	283.87533	138.1
[M+H-H2O]+	227.90943	133.6
[M+HCOO]-	289.91037	148.7
[M+CH3COO]-	303.92602	185.4
[M+Na-2H]-	265.88684	139.2
[M]+	244.91162	152.0
[M]-	244.91272	152.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe