CID 170913542

2-(bromomethyl)-4-(1,1-difluoroethyl)-1,3-thiazole

Structural Information

Molecular Formula
C6H6BrF2NS
SMILES
CC(C1=CSC(=N1)CBr)(F)F
InChI
InChI=1S/C6H6BrF2NS/c1-6(8,9)4-3-11-5(2-7)10-4/h3H,2H2,1H3
InChIKey
PKBOCZGEEONITP-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-4-(1,1-difluoroethyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.93724 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.94452 136.1
[M+Na]+ 263.92646 150.5
[M-H]- 239.92996 139.8
[M+NH4]+ 258.97106 159.1
[M+K]+ 279.90040 139.1
[M+H-H2O]+ 223.93450 135.6
[M+HCOO]- 285.93544 150.6
[M+CH3COO]- 299.95109 186.2
[M+Na-2H]- 261.91191 140.6
[M]+ 240.93669 154.8
[M]- 240.93779 154.8
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.