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

20
Patents

171.98875 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.99603 136.5
[M+Na]+ 194.97797 148.9
[M-H]- 170.98147 142.6
[M+NH4]+ 190.02257 165.4
[M+K]+ 210.95191 139.0
[M+H-H2O]+ 154.98601 138.5
[M+HCOO]- 216.98695 157.6
[M+CH3COO]- 231.00260 152.8
[M+Na-2H]- 192.96342 142.8
[M]+ 171.98820 153.8
[M]- 171.98930 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