CID 11390521

1-(bromomethyl)-4-(prop-2-en-1-yloxy)benzene

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

35
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 140.6
[M+Na]+ 248.98855 152.0
[M-H]- 224.99205 146.8
[M+NH4]+ 244.03315 162.6
[M+K]+ 264.96249 140.8
[M+H-H2O]+ 208.99659 140.9
[M+HCOO]- 270.99753 162.7
[M+CH3COO]- 285.01318 187.0
[M+Na-2H]- 246.97400 148.6
[M]+ 225.99878 160.5
[M]- 225.99988 160.5
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