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

66
Patents

247.96036 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.96764 142.6
[M+Na]+ 270.94958 155.1
[M-H]- 246.95308 148.8
[M+NH4]+ 265.99418 164.7
[M+K]+ 286.92352 142.6
[M+H-H2O]+ 230.95762 143.7
[M+HCOO]- 292.95856 160.4
[M+CH3COO]- 306.97421 188.5
[M+Na-2H]- 268.93503 150.7
[M]+ 247.95981 164.6
[M]- 247.96091 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