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

5025
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 128.1
[M+Na]+ 204.96233 140.4
[M-H]- 180.96583 134.8
[M+NH4]+ 200.00693 151.9
[M+K]+ 220.93627 129.3
[M+H-H2O]+ 164.97037 129.2
[M+HCOO]- 226.97131 150.7
[M+CH3COO]- 240.98696 179.5
[M+Na-2H]- 202.94778 137.3
[M]+ 181.97256 146.0
[M]- 181.97366 146.0
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