CID 74870

3-bromostyrene

Structural Information

Molecular Formula
C8H7Br
SMILES
C=CC1=CC(=CC=C1)Br
InChI
InChI=1S/C8H7Br/c1-2-7-4-3-5-8(9)6-7/h2-6H,1H2
InChIKey
KQJQPCJDKBKSLV-UHFFFAOYSA-N
Compound name
1-bromo-3-ethenylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4954
Patents

181.97311 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.98039 128.3
[M+Na]+ 204.96233 133.2
[M+NH4]+ 200.00693 134.5
[M+K]+ 220.93627 131.9
[M-H]- 180.96583 129.9
[M+Na-2H]- 202.94778 133.7
[M]+ 181.97256 128.4
[M]- 181.97366 128.4
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