CID 269439

Syn-7-bromobicyclo[2.2.1]hept-2-ene

Structural Information

Molecular Formula
C7H9Br
SMILES
C1CC2C=CC1C2Br
InChI
InChI=1S/C7H9Br/c8-7-5-1-2-6(7)4-3-5/h1-2,5-7H,3-4H2
InChIKey
XFPAUZYYSFLZRD-UHFFFAOYSA-N
Compound name
7-bromobicyclo[2.2.1]hept-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
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

No literature data available for this compound.

Patent stripe

patents stripe