CID 223534

1-(3-bromopropoxy)-4-chlorobenzene

Structural Information

Molecular Formula
C9H10BrClO
SMILES
C1=CC(=CC=C1OCCCBr)Cl
InChI
InChI=1S/C9H10BrClO/c10-6-1-7-12-9-4-2-8(11)3-5-9/h2-5H,1,6-7H2
InChIKey
QVEAVDHTWIVBSX-UHFFFAOYSA-N
Compound name
1-(3-bromopropoxy)-4-chlorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

145
Patents

247.96036 Da
Monoisotopic Mass

3.6
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

literature stripe

Patent stripe

patents stripe