CID 165978690

2-bromo-4-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole

Structural Information

Molecular Formula
C7H5BrF3NS
SMILES
C1CC1(C2=CSC(=N2)Br)C(F)(F)F
InChI
InChI=1S/C7H5BrF3NS/c8-5-12-4(3-13-5)6(1-2-6)7(9,10)11/h3H,1-2H2
InChIKey
BIEWIKPFSWPCND-UHFFFAOYSA-N
Compound name
2-bromo-4-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.92783 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.93511 136.4
[M+Na]+ 293.91705 152.1
[M-H]- 269.92055 142.4
[M+NH4]+ 288.96165 155.1
[M+K]+ 309.89099 140.6
[M+H-H2O]+ 253.92509 135.3
[M+HCOO]- 315.92603 150.1
[M+CH3COO]- 329.94168 192.1
[M+Na-2H]- 291.90250 141.9
[M]+ 270.92728 155.1
[M]- 270.92838 155.1
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.