CID 14816053

18621-22-2

Structural Information

Molecular Formula
C9H9BrO2
SMILES
CC(=O)COC1=CC=C(C=C1)Br
InChI
InChI=1S/C9H9BrO2/c1-7(11)6-12-9-4-2-8(10)3-5-9/h2-5H,6H2,1H3
InChIKey
CFPFUJANAPAZSH-UHFFFAOYSA-N
Compound name
1-(4-bromophenoxy)propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

227.97859 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.98587 139.4
[M+Na]+ 250.96781 150.8
[M-H]- 226.97131 145.8
[M+NH4]+ 246.01241 161.1
[M+K]+ 266.94175 140.7
[M+H-H2O]+ 210.97585 139.6
[M+HCOO]- 272.97679 161.0
[M+CH3COO]- 286.99244 186.7
[M+Na-2H]- 248.95326 146.7
[M]+ 227.97804 159.7
[M]- 227.97914 159.7
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