CID 3020180

4-(allyloxy)-3,5-dibromobenzene

Structural Information

Molecular Formula
C9H8Br2O
SMILES
C=CCOC1=C(C=CC=C1Br)Br
InChI
InChI=1S/C9H8Br2O/c1-2-6-12-9-7(10)4-3-5-8(9)11/h2-5H,1,6H2
InChIKey
WPIGGJYGGJHEJB-UHFFFAOYSA-N
Compound name
1,3-dibromo-2-prop-2-enoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

289.8942 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.901476 138.3
[M+Na]+ 312.883418 149.7
[M-H]- 288.886924 145.2
[M+NH4]+ 307.928023 158.0
[M+K]+ 328.857358 134.2
[M+H-H2O]+ 272.891460 146.6
[M+HCOO]- 334.892401 155.2
[M+CH3COO]- 348.908051 202.6
[M+Na-2H]- 310.868866 145.8
[M]+ 289.89365142 173.2
[M]- 289.89474858 173.2
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