CID 64868126

(4-(2-bromoethyl)phenyl)(trifluoromethyl)sulfane

Structural Information

Molecular Formula
C9H8BrF3S
SMILES
C1=CC(=CC=C1CCBr)SC(F)(F)F
InChI
InChI=1S/C9H8BrF3S/c10-6-5-7-1-3-8(4-2-7)14-9(11,12)13/h1-4H,5-6H2
InChIKey
OVMCFKCMGKWBRY-UHFFFAOYSA-N
Compound name
1-(2-bromoethyl)-4-(trifluoromethylsulfanyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.9482 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.95548 151.7
[M+Na]+ 306.93742 153.2
[M+NH4]+ 301.98202 155.5
[M+K]+ 322.91136 151.0
[M-H]- 282.94092 148.9
[M+Na-2H]- 304.92287 153.5
[M]+ 283.94765 150.4
[M]- 283.94875 150.4
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.