CID 214098

P-bromophenyl chloromethyl sulfide

Structural Information

Molecular Formula
C7H6BrClS
SMILES
C1=CC(=CC=C1SCCl)Br
InChI
InChI=1S/C7H6BrClS/c8-6-1-3-7(4-2-6)10-5-9/h1-4H,5H2
InChIKey
BKWAYMAOVGORCE-UHFFFAOYSA-N
Compound name
1-bromo-4-(chloromethylsulfanyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

235.9062 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.91348 128.0
[M+Na]+ 258.89542 133.4
[M+NH4]+ 253.94002 135.1
[M+K]+ 274.86936 130.3
[M-H]- 234.89892 130.1
[M+Na-2H]- 256.88087 133.5
[M]+ 235.90565 129.0
[M]- 235.90675 129.0
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