CID 232026

Allyl 4-bromophenyl sulfide

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

26
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 131.6
[M+Na]+ 250.95005 144.3
[M-H]- 226.95355 138.5
[M+NH4]+ 245.99465 154.5
[M+K]+ 266.92399 131.8
[M+H-H2O]+ 210.95809 132.6
[M+HCOO]- 272.95903 149.2
[M+CH3COO]- 286.97468 185.9
[M+Na-2H]- 248.93550 137.8
[M]+ 227.96028 152.1
[M]- 227.96138 152.1
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