CID 165935808

5-bromo-2-fluoro-4-methyl-1,3-thiazole

Structural Information

Molecular Formula
C4H3BrFNS
SMILES
CC1=C(SC(=N1)F)Br
InChI
InChI=1S/C4H3BrFNS/c1-2-3(5)8-4(6)7-2/h1H3
InChIKey
RVBXOCLDBFTCEA-UHFFFAOYSA-N
Compound name
5-bromo-2-fluoro-4-methyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.91536 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.92264 121.1
[M+Na]+ 217.90458 136.8
[M-H]- 193.90808 126.6
[M+NH4]+ 212.94918 146.1
[M+K]+ 233.87852 126.0
[M+H-H2O]+ 177.91262 121.7
[M+HCOO]- 239.91356 138.7
[M+CH3COO]- 253.92921 178.8
[M+Na-2H]- 215.89003 126.1
[M]+ 194.91481 141.2
[M]- 194.91591 141.2
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.