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

10
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

literature stripe

Patent stripe

patents stripe