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]+ 194.98039 131.2
[M+Na]+ 216.96233 143.5
[M-H]- 192.96583 137.8
[M+NH4]+ 212.00693 154.6
[M+K]+ 232.93627 131.6
[M+H-H2O]+ 176.97037 132.2
[M+HCOO]- 238.97131 153.7
[M+CH3COO]- 252.98696 180.8
[M+Na-2H]- 214.94778 140.0
[M]+ 193.97256 148.8
[M]- 193.97366 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.