CID 84801458

2-bromo-4-(1,1-difluoroethyl)-5-methyl-1,3-thiazole

Structural Information

Molecular Formula
C6H6BrF2NS
SMILES
CC1=C(N=C(S1)Br)C(C)(F)F
InChI
InChI=1S/C6H6BrF2NS/c1-3-4(6(2,8)9)10-5(7)11-3/h1-2H3
InChIKey
ILJKTJWENABXEV-UHFFFAOYSA-N
Compound name
2-bromo-4-(1,1-difluoroethyl)-5-methyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.93724 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.94452 135.5
[M+Na]+ 263.92646 150.6
[M-H]- 239.92996 139.5
[M+NH4]+ 258.97106 158.7
[M+K]+ 279.90040 139.1
[M+H-H2O]+ 223.93450 135.1
[M+HCOO]- 285.93544 149.9
[M+CH3COO]- 299.95109 187.3
[M+Na-2H]- 261.91191 139.4
[M]+ 240.93669 154.5
[M]- 240.93779 154.5
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.