CID 43141693

1-(bromomethyl)-3-propoxybenzene

Structural Information

Molecular Formula
C10H13BrO
SMILES
CCCOC1=CC=CC(=C1)CBr
InChI
InChI=1S/C10H13BrO/c1-2-6-12-10-5-3-4-9(7-10)8-11/h3-5,7H,2,6,8H2,1H3
InChIKey
NFPORVUOPCEKIU-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-3-propoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

228.01498 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.02226 142.0
[M+Na]+ 251.00420 146.1
[M+NH4]+ 246.04880 147.6
[M+K]+ 266.97814 144.7
[M-H]- 227.00770 143.3
[M+Na-2H]- 248.98965 146.4
[M]+ 228.01443 141.9
[M]- 228.01553 141.9
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