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]+ 246.95200 140.3
[M+Na]+ 268.93394 154.0
[M-H]- 244.93744 146.9
[M+NH4]+ 263.97854 162.7
[M+K]+ 284.90788 141.0
[M+H-H2O]+ 228.94198 141.7
[M+HCOO]- 290.94292 158.4
[M+CH3COO]- 304.95857 188.7
[M+Na-2H]- 266.91939 147.9
[M]+ 245.94417 162.0
[M]- 245.94527 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