CID 17750740

4-chloro-3-(trifluoromethylthio)benzyl bromide

Structural Information

Molecular Formula
C8H5BrClF3S
SMILES
C1=CC(=C(C=C1CBr)SC(F)(F)F)Cl
InChI
InChI=1S/C8H5BrClF3S/c9-4-5-1-2-6(10)7(3-5)14-8(11,12)13/h1-3H,4H2
InChIKey
QRIMMRPSWRLACM-UHFFFAOYSA-N
Compound name
4-(bromomethyl)-1-chloro-2-(trifluoromethylsulfanyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

303.8936 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.90088 151.5
[M+Na]+ 326.88282 153.9
[M+NH4]+ 321.92742 155.5
[M+K]+ 342.85676 151.5
[M-H]- 302.88632 148.8
[M+Na-2H]- 324.86827 153.5
[M]+ 303.89305 150.6
[M]- 303.89415 150.6
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