CID 3359713

Allyl 4-bromo-2-chlorophenyl ether

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]+ 246.951996 140.3
[M+Na]+ 268.933938 154.0
[M-H]- 244.937444 146.9
[M+NH4]+ 263.978543 162.7
[M+K]+ 284.907878 141.0
[M+H-H2O]+ 228.941980 141.7
[M+HCOO]- 290.942921 158.4
[M+CH3COO]- 304.958571 188.7
[M+Na-2H]- 266.919386 147.9
[M]+ 245.94417142 162.0
[M]- 245.94526858 162.0
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