CID 11000295

1-bromo-4-[(1e)-3-bromoprop-1-en-1-yl]benzene

Structural Information

Molecular Formula
C9H8Br2
SMILES
C1=CC(=CC=C1/C=C/CBr)Br
InChI
InChI=1S/C9H8Br2/c10-7-1-2-8-3-5-9(11)6-4-8/h1-6H,7H2/b2-1+
InChIKey
YOZFZNNDFOOJMQ-OWOJBTEDSA-N
Compound name
1-bromo-4-[(E)-3-bromoprop-1-enyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

19
Patents

273.8993 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.906576 136.9
[M+Na]+ 296.888518 147.9
[M-H]- 272.892024 143.7
[M+NH4]+ 291.933123 157.1
[M+K]+ 312.862458 132.1
[M+H-H2O]+ 256.896560 145.5
[M+HCOO]- 318.897501 153.7
[M+CH3COO]- 332.913151 199.8
[M+Na-2H]- 294.873966 145.0
[M]+ 273.89875142 170.5
[M]- 273.89984858 170.5
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