CID 75480617

4-bromo-1-(3-chloropropyl)-2-methoxybenzene

Structural Information

Molecular Formula
C10H12BrClO
SMILES
COC1=C(C=CC(=C1)Br)CCCCl
InChI
InChI=1S/C10H12BrClO/c1-13-10-7-9(11)5-4-8(10)3-2-6-12/h4-5,7H,2-3,6H2,1H3
InChIKey
GVEWPVQWZFDRHJ-UHFFFAOYSA-N
Compound name
4-bromo-1-(3-chloropropyl)-2-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.976 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.98328 146.6
[M+Na]+ 284.96522 159.6
[M-H]- 260.96872 153.0
[M+NH4]+ 280.00982 168.5
[M+K]+ 300.93916 146.8
[M+H-H2O]+ 244.97326 147.7
[M+HCOO]- 306.97420 164.1
[M+CH3COO]- 320.98985 192.4
[M+Na-2H]- 282.95067 153.5
[M]+ 261.97545 169.3
[M]- 261.97655 169.3
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

No patent data available for this compound.