CID 64508920

4-(4-bromobutyl)-1,2-dichlorobenzene

Structural Information

Molecular Formula
C10H11BrCl2
SMILES
C1=CC(=C(C=C1CCCCBr)Cl)Cl
InChI
InChI=1S/C10H11BrCl2/c11-6-2-1-3-8-4-5-9(12)10(13)7-8/h4-5,7H,1-3,6H2
InChIKey
CTWUHPGFXJHKFX-UHFFFAOYSA-N
Compound name
4-(4-bromobutyl)-1,2-dichlorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.9421 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.94938 148.5
[M+Na]+ 302.93132 162.2
[M-H]- 278.93482 154.2
[M+NH4]+ 297.97592 170.1
[M+K]+ 318.90526 147.5
[M+H-H2O]+ 262.93936 150.4
[M+HCOO]- 324.94030 161.0
[M+CH3COO]- 338.95595 194.9
[M+Na-2H]- 300.91677 154.9
[M]+ 279.94155 170.5
[M]- 279.94265 170.5
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.