CID 11390521

143116-30-7

Structural Information

Molecular Formula
C10H11BrO
SMILES
C=CCOC1=CC=C(C=C1)CBr
InChI
InChI=1S/C10H11BrO/c1-2-7-12-10-5-3-9(8-11)4-6-10/h2-6H,1,7-8H2
InChIKey
FEUUZYHKKUIYRW-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-4-prop-2-enoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

225.99933 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.00661 140.9
[M+Na]+ 248.98855 145.0
[M+NH4]+ 244.03315 146.3
[M+K]+ 264.96249 143.6
[M-H]- 224.99205 141.9
[M+Na-2H]- 246.97400 145.2
[M]+ 225.99878 140.6
[M]- 225.99988 140.6
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