CID 90043980

1,3-bis(bromomethyl)-5-iodobenzene

Structural Information

Molecular Formula
C8H7Br2I
SMILES
C1=C(C=C(C=C1CBr)I)CBr
InChI
InChI=1S/C8H7Br2I/c9-4-6-1-7(5-10)3-8(11)2-6/h1-3H,4-5H2
InChIKey
GMAQAYJAXIDDAH-UHFFFAOYSA-N
Compound name
1,3-bis(bromomethyl)-5-iodobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

387.79593 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.80321 145.4
[M+Na]+ 410.78515 151.1
[M-H]- 386.78865 146.7
[M+NH4]+ 405.82975 161.3
[M+K]+ 426.75909 140.8
[M+H-H2O]+ 370.79319 150.3
[M+HCOO]- 432.79413 158.1
[M+CH3COO]- 446.80978 207.9
[M+Na-2H]- 408.77060 143.4
[M]+ 387.79538 175.5
[M]- 387.79648 175.5
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