CID 13082727

1-bromo-3-(ethylsulfanyl)benzene

Structural Information

Molecular Formula
C8H9BrS
SMILES
CCSC1=CC(=CC=C1)Br
InChI
InChI=1S/C8H9BrS/c1-2-10-8-5-3-4-7(9)6-8/h3-6H,2H2,1H3
InChIKey
DYKHQTGFDPTFQD-UHFFFAOYSA-N
Compound name
1-bromo-3-ethylsulfanylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

130
Patents

215.96083 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.96811 125.5
[M+Na]+ 238.95005 130.0
[M+NH4]+ 233.99465 132.3
[M+K]+ 254.92399 127.5
[M-H]- 214.95355 127.6
[M+Na-2H]- 236.93550 130.8
[M]+ 215.96028 126.1
[M]- 215.96138 126.1
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

patents stripe