CID 118010284

1698909-22-6

Structural Information

Molecular Formula
C4BrClF3NS
SMILES
C1(=C(N=C(S1)Cl)Br)C(F)(F)F
InChI
InChI=1S/C4BrClF3NS/c5-2-1(4(7,8)9)11-3(6)10-2
InChIKey
LVGAGBFVUWZSGN-UHFFFAOYSA-N
Compound name
4-bromo-2-chloro-5-(trifluoromethyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

264.85754 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.86482 134.1
[M+Na]+ 287.84676 150.9
[M-H]- 263.85026 137.2
[M+NH4]+ 282.89136 157.2
[M+K]+ 303.82070 137.6
[M+H-H2O]+ 247.85480 133.8
[M+HCOO]- 309.85574 143.9
[M+CH3COO]- 323.87139 187.2
[M+Na-2H]- 285.83221 138.2
[M]+ 264.85699 152.8
[M]- 264.85809 152.8
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

patents stripe