CID 67354071

Schembl2297994

Structural Information

Molecular Formula
C9H8Br2
SMILES
C=C(CBr)C1=CC=C(C=C1)Br
InChI
InChI=1S/C9H8Br2/c1-7(6-10)8-2-4-9(11)5-3-8/h2-5H,1,6H2
InChIKey
RDCYYCJLZWPKQF-UHFFFAOYSA-N
Compound name
1-bromo-4-(3-bromoprop-1-en-2-yl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

273.8993 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.90658 138.1
[M+Na]+ 296.88852 148.8
[M-H]- 272.89202 144.9
[M+NH4]+ 291.93312 158.1
[M+K]+ 312.86246 133.2
[M+H-H2O]+ 256.89656 146.6
[M+HCOO]- 318.89750 154.1
[M+CH3COO]- 332.91315 200.9
[M+Na-2H]- 294.87397 145.1
[M]+ 273.89875 171.2
[M]- 273.89985 171.2
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