CID 10857167

{[(2-bromoprop-2-en-1-yl)oxy]methyl}benzene

Structural Information

Molecular Formula
C10H11BrO
SMILES
C=C(COCC1=CC=CC=C1)Br
InChI
InChI=1S/C10H11BrO/c1-9(11)7-12-8-10-5-3-2-4-6-10/h2-6H,1,7-8H2
InChIKey
YPJSJNSGRGVCTJ-UHFFFAOYSA-N
Compound name
2-bromoprop-2-enoxymethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

225.99933 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.00661 142.2
[M+Na]+ 248.98855 152.4
[M-H]- 224.99205 148.1
[M+NH4]+ 244.03315 163.8
[M+K]+ 264.96249 141.6
[M+H-H2O]+ 208.99659 142.3
[M+HCOO]- 270.99753 163.3
[M+CH3COO]- 285.01318 186.7
[M+Na-2H]- 246.97400 149.5
[M]+ 225.99878 161.1
[M]- 225.99988 161.1
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

No patent data available for this compound.