CID 20637102

1261553-05-2

Structural Information

Molecular Formula
C7H5Br2I
SMILES
C1=C(C=C(C=C1Br)I)CBr
InChI
InChI=1S/C7H5Br2I/c8-4-5-1-6(9)3-7(10)2-5/h1-3H,4H2
InChIKey
ROOHCQCOVGIUBX-UHFFFAOYSA-N
Compound name
1-bromo-3-(bromomethyl)-5-iodobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

373.78027 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.787546 141.0
[M+Na]+ 396.769488 147.1
[M-H]- 372.772994 142.5
[M+NH4]+ 391.814093 157.4
[M+K]+ 412.743428 137.0
[M+H-H2O]+ 356.777530 146.1
[M+HCOO]- 418.778471 154.0
[M+CH3COO]- 432.794121 205.8
[M+Na-2H]- 394.754936 139.6
[M]+ 373.77972142 170.9
[M]- 373.78081858 170.9
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

patents stripe