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

234
Patents

231.96544 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.972716 139.8
[M+Na]+ 254.954658 152.4
[M-H]- 230.958164 146.0
[M+NH4]+ 249.999263 162.6
[M+K]+ 270.928598 139.5
[M+H-H2O]+ 214.962700 141.2
[M+HCOO]- 276.963641 157.5
[M+CH3COO]- 290.979291 186.8
[M+Na-2H]- 252.940106 148.0
[M]+ 231.96489142 160.4
[M]- 231.96598858 160.4
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