CID 12776996

1-(3-bromopropyl)-4-methoxybenzene

Structural Information

Molecular Formula
C10H13BrO
SMILES
COC1=CC=C(C=C1)CCCBr
InChI
InChI=1S/C10H13BrO/c1-12-10-6-4-9(5-7-10)3-2-8-11/h4-7H,2-3,8H2,1H3
InChIKey
CPHLODVMQBMDNC-UHFFFAOYSA-N
Compound name
1-(3-bromopropyl)-4-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

243
Patents

228.01498 Da
Monoisotopic Mass

3.6
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

literature stripe

Patent stripe

patents stripe