CID 5314126

Beta-bromostyrene

Structural Information

Molecular Formula
C8H7Br
SMILES
C1=CC=C(C=C1)/C=C/Br
InChI
InChI=1S/C8H7Br/c9-7-6-8-4-2-1-3-5-8/h1-7H/b7-6+
InChIKey
YMOONIIMQBGTDU-VOTSOKGWSA-N
Compound name
[(E)-2-bromoethenyl]benzene
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

19
References

29954
Patents

181.97311 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.98039 129.1
[M+Na]+ 204.96233 140.6
[M-H]- 180.96583 135.5
[M+NH4]+ 200.00693 152.7
[M+K]+ 220.93627 129.6
[M+H-H2O]+ 164.97037 130.1
[M+HCOO]- 226.97131 151.7
[M+CH3COO]- 240.98696 177.9
[M+Na-2H]- 202.94778 139.0
[M]+ 181.97256 146.6
[M]- 181.97366 146.6
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