CID 232026

1-bromo-4-(prop-2-en-1-ylsulfanyl)benzene

Structural Information

Molecular Formula
C9H9BrS
SMILES
C=CCSC1=CC=C(C=C1)Br
InChI
InChI=1S/C9H9BrS/c1-2-7-11-9-5-3-8(10)4-6-9/h2-6H,1,7H2
InChIKey
YJSJZKBPRLJLPC-UHFFFAOYSA-N
Compound name
1-bromo-4-prop-2-enylsulfanylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

227.96083 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.96811 129.1
[M+Na]+ 250.95005 133.5
[M+NH4]+ 245.99465 135.6
[M+K]+ 266.92399 130.7
[M-H]- 226.95355 130.9
[M+Na-2H]- 248.93550 134.1
[M]+ 227.96028 129.6
[M]- 227.96138 129.6
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