CID 66828

(1-bromovinyl)benzene

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

2
References

3609
Patents

181.97311 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.98039 129.6
[M+Na]+ 204.96233 140.8
[M-H]- 180.96583 136.0
[M+NH4]+ 200.00693 153.0
[M+K]+ 220.93627 130.1
[M+H-H2O]+ 164.97037 130.5
[M+HCOO]- 226.97131 151.3
[M+CH3COO]- 240.98696 179.3
[M+Na-2H]- 202.94778 138.2
[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