CID 12026122

Benzene, 1-bromo-3-(1,2-propadienyl)-

Structural Information

Molecular Formula
C9H7Br
SMILES
C=C=CC1=CC(=CC=C1)Br
InChI
InChI=1S/C9H7Br/c1-2-4-8-5-3-6-9(10)7-8/h3-7H,1H2
InChIKey
OVBTYZIPSQPDKT-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.97311 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.98039 131.7
[M+Na]+ 216.96233 136.6
[M+NH4]+ 212.00693 137.6
[M+K]+ 232.93627 134.9
[M-H]- 192.96583 133.1
[M+Na-2H]- 214.94778 136.8
[M]+ 193.97256 131.7
[M]- 193.97366 131.7
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

No patent data available for this compound.