CID 50999476

1,5-dibromo-2-iodo-4-methylbenzene

Structural Information

Molecular Formula
C7H5Br2I
SMILES
CC1=CC(=C(C=C1Br)Br)I
InChI
InChI=1S/C7H5Br2I/c1-4-2-7(10)6(9)3-5(4)8/h2-3H,1H3
InChIKey
UKKKSMIDLRZZLF-UHFFFAOYSA-N
Compound name
1,5-dibromo-2-iodo-4-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.78027 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.787546 139.7
[M+Na]+ 396.769488 146.4
[M-H]- 372.772994 141.5
[M+NH4]+ 391.814093 156.3
[M+K]+ 412.743428 136.3
[M+H-H2O]+ 356.777530 144.9
[M+HCOO]- 418.778471 152.7
[M+CH3COO]- 432.794121 206.6
[M+Na-2H]- 394.754936 137.8
[M]+ 373.77972142 169.8
[M]- 373.78081858 169.8
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.