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]+ 227.006606 142.2
[M+Na]+ 248.988548 152.4
[M-H]- 224.992054 148.1
[M+NH4]+ 244.033153 163.8
[M+K]+ 264.962488 141.6
[M+H-H2O]+ 208.996590 142.3
[M+HCOO]- 270.997531 163.3
[M+CH3COO]- 285.013181 186.7
[M+Na-2H]- 246.973996 149.5
[M]+ 225.99878142 161.1
[M]- 225.99987858 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

literature stripe

Patent stripe

patents stripe