CID 131073343

4-bromo-2-(3-bromopropyl)-1-iodobenzene

Structural Information

Molecular Formula
C9H9Br2I
SMILES
C1=CC(=C(C=C1Br)CCCBr)I
InChI
InChI=1S/C9H9Br2I/c10-5-1-2-7-6-8(11)3-4-9(7)12/h3-4,6H,1-2,5H2
InChIKey
IYTPXOIGZPEIQH-UHFFFAOYSA-N
Compound name
4-bromo-2-(3-bromopropyl)-1-iodobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.81158 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.81886 149.7
[M+Na]+ 424.80080 155.1
[M-H]- 400.80430 150.8
[M+NH4]+ 419.84540 165.2
[M+K]+ 440.77474 144.5
[M+H-H2O]+ 384.80884 154.4
[M+HCOO]- 446.80978 162.1
[M+CH3COO]- 460.82543 210.0
[M+Na-2H]- 422.78625 147.2
[M]+ 401.81103 180.0
[M]- 401.81213 180.0
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.