CID 138594

5-bromobicyclo[2.2.1]hept-2-ene

Structural Information

Molecular Formula
C7H9Br
SMILES
C1C2CC(C1C=C2)Br
InChI
InChI=1S/C7H9Br/c8-7-4-5-1-2-6(7)3-5/h1-2,5-7H,3-4H2
InChIKey
DWPPXNJBRSZQHD-UHFFFAOYSA-N
Compound name
5-bromobicyclo[2.2.1]hept-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

140
Patents

171.98875 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.996026 136.5
[M+Na]+ 194.977968 148.9
[M-H]- 170.981474 142.6
[M+NH4]+ 190.022573 165.4
[M+K]+ 210.951908 139.0
[M+H-H2O]+ 154.986010 138.5
[M+HCOO]- 216.986951 157.6
[M+CH3COO]- 231.002601 152.8
[M+Na-2H]- 192.963416 142.8
[M]+ 171.98820142 153.8
[M]- 171.98929858 153.8
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