CID 84792019

2-bromo-5-(1,1-difluoroethyl)-1,3-thiazole

Structural Information

Molecular Formula
C5H4BrF2NS
SMILES
CC(C1=CN=C(S1)Br)(F)F
InChI
InChI=1S/C5H4BrF2NS/c1-5(7,8)3-2-9-4(6)10-3/h2H,1H3
InChIKey
SGSVMOPXMYHONB-UHFFFAOYSA-N
Compound name
2-bromo-5-(1,1-difluoroethyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

226.92159 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.928866 131.6
[M+Na]+ 249.910808 146.3
[M-H]- 225.914314 135.4
[M+NH4]+ 244.955413 155.0
[M+K]+ 265.884748 135.2
[M+H-H2O]+ 209.918850 131.2
[M+HCOO]- 271.919791 146.4
[M+CH3COO]- 285.935441 183.4
[M+Na-2H]- 247.896256 136.5
[M]+ 226.92104142 150.0
[M]- 226.92213858 150.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe