CID 18786487

1-bromo-2-(pent-4-en-1-yl)benzene

Structural Information

Molecular Formula
C11H13Br
SMILES
C=CCCCC1=CC=CC=C1Br
InChI
InChI=1S/C11H13Br/c1-2-3-4-7-10-8-5-6-9-11(10)12/h2,5-6,8-9H,1,3-4,7H2
InChIKey
FULQQCDDNIHZAS-UHFFFAOYSA-N
Compound name
1-bromo-2-pent-4-enylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

224.02007 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.02735 142.2
[M+Na]+ 247.00929 153.3
[M-H]- 223.01279 148.3
[M+NH4]+ 242.05389 164.3
[M+K]+ 262.98323 141.4
[M+H-H2O]+ 207.01733 142.6
[M+HCOO]- 269.01827 163.8
[M+CH3COO]- 283.03392 188.0
[M+Na-2H]- 244.99474 149.7
[M]+ 224.01952 161.1
[M]- 224.02062 161.1
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

patents stripe