CID 12321394

25108-58-1

Structural Information

Molecular Formula
C9H9Br
SMILES
CC(=C)C1=CC(=CC=C1)Br
InChI
InChI=1S/C9H9Br/c1-7(2)8-4-3-5-9(10)6-8/h3-6H,1H2,2H3
InChIKey
BHFSXGLQLQHDCH-UHFFFAOYSA-N
Compound name
1-bromo-3-prop-1-en-2-ylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

128
Patents

195.98875 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.99603 133.3
[M+Na]+ 218.97797 145.0
[M-H]- 194.98147 139.9
[M+NH4]+ 214.02257 156.5
[M+K]+ 234.95191 134.0
[M+H-H2O]+ 178.98601 134.2
[M+HCOO]- 240.98695 154.6
[M+CH3COO]- 255.00260 183.1
[M+Na-2H]- 216.96342 140.8
[M]+ 195.98820 151.0
[M]- 195.98930 151.0
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