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
1-bromo-3-propa-1,2-dienylbenzene
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]+ 194.980386 131.2
[M+Na]+ 216.962328 143.5
[M-H]- 192.965834 137.8
[M+NH4]+ 212.006933 154.6
[M+K]+ 232.936268 131.6
[M+H-H2O]+ 176.970370 132.2
[M+HCOO]- 238.971311 153.7
[M+CH3COO]- 252.986961 180.8
[M+Na-2H]- 214.947776 140.0
[M]+ 193.97256142 148.8
[M]- 193.97365858 148.8
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

No patent data available for this compound.