CID 3359713

1-(allyloxy)-4-bromo-2-chlorobenzene

Structural Information

Molecular Formula
C9H8BrClO
SMILES
C=CCOC1=C(C=C(C=C1)Br)Cl
InChI
InChI=1S/C9H8BrClO/c1-2-5-12-9-4-3-7(10)6-8(9)11/h2-4,6H,1,5H2
InChIKey
ZZRMGQOIFBKQIH-UHFFFAOYSA-N
Compound name
4-bromo-2-chloro-1-prop-2-enoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

245.94472 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.95200 141.9
[M+Na]+ 268.93394 147.3
[M+NH4]+ 263.97854 147.6
[M+K]+ 284.90788 145.4
[M-H]- 244.93744 143.0
[M+Na-2H]- 266.91939 146.3
[M]+ 245.94417 142.2
[M]- 245.94527 142.2
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