CID 9881136

1-(3-bromopropyl)-4-chlorobenzene

Structural Information

Molecular Formula
C9H10BrCl
SMILES
C1=CC(=CC=C1CCCBr)Cl
InChI
InChI=1S/C9H10BrCl/c10-7-1-2-8-3-5-9(11)6-4-8/h3-6H,1-2,7H2
InChIKey
OVXYDNVSUOXGQG-UHFFFAOYSA-N
Compound name
1-(3-bromopropyl)-4-chlorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

231
Patents

231.96544 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.97272 140.4
[M+Na]+ 254.95466 145.9
[M+NH4]+ 249.99926 146.9
[M+K]+ 270.92860 143.4
[M-H]- 230.95816 142.2
[M+Na-2H]- 252.94011 145.5
[M]+ 231.96489 140.9
[M]- 231.96599 140.9
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