CID 234998

(3-bromoprop-1-en-2-yl)benzene

Structural Information

Molecular Formula
C9H9Br
SMILES
C=C(CBr)C1=CC=CC=C1
InChI
InChI=1S/C9H9Br/c1-8(7-10)9-5-3-2-4-6-9/h2-6H,1,7H2
InChIKey
RMMHOFFPGKSRDI-UHFFFAOYSA-N
Compound name
3-bromoprop-1-en-2-ylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1282
Patents

195.98875 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.996026 134.3
[M+Na]+ 218.977968 145.1
[M-H]- 194.981474 140.6
[M+NH4]+ 214.022573 157.2
[M+K]+ 234.951908 134.1
[M+H-H2O]+ 178.986010 135.0
[M+HCOO]- 240.986951 155.7
[M+CH3COO]- 255.002601 182.1
[M+Na-2H]- 216.963416 142.4
[M]+ 195.98820142 151.6
[M]- 195.98929858 151.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe