CID 2734929

1-(3-bromopropoxy)-3-chlorobenzene

Structural Information

Molecular Formula
C9H10BrClO
SMILES
C1=CC(=CC(=C1)Cl)OCCCBr
InChI
InChI=1S/C9H10BrClO/c10-5-2-6-12-9-4-1-3-8(11)7-9/h1,3-4,7H,2,5-6H2
InChIKey
MVKLHPFBHSJVLA-UHFFFAOYSA-N
Compound name
1-(3-bromopropoxy)-3-chlorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

247.96036 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.967636 142.6
[M+Na]+ 270.949578 155.1
[M-H]- 246.953084 148.8
[M+NH4]+ 265.994183 164.7
[M+K]+ 286.923518 142.6
[M+H-H2O]+ 230.957620 143.7
[M+HCOO]- 292.958561 160.4
[M+CH3COO]- 306.974211 188.5
[M+Na-2H]- 268.935026 150.7
[M]+ 247.95981142 164.6
[M]- 247.96090858 164.6
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