CID 71356595

250337-98-5

Structural Information

Molecular Formula
C9H9Br
SMILES
C1CC2=C1C=CC(=C2)CBr
InChI
InChI=1S/C9H9Br/c10-6-7-1-2-8-3-4-9(8)5-7/h1-2,5H,3-4,6H2
InChIKey
IGMGCMGCSKLTLA-UHFFFAOYSA-N
Compound name
3-(bromomethyl)bicyclo[4.2.0]octa-1(6),2,4-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.98875 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.99603 127.8
[M+Na]+ 218.97797 128.8
[M+NH4]+ 214.02257 131.3
[M+K]+ 234.95191 129.2
[M-H]- 194.98147 127.3
[M+Na-2H]- 216.96342 130.5
[M]+ 195.98820 125.8
[M]- 195.98930 125.8
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

No patent data available for this compound.