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]+ 374.78755 139.7
[M+Na]+ 396.76949 146.4
[M-H]- 372.77299 141.5
[M+NH4]+ 391.81409 156.3
[M+K]+ 412.74343 136.3
[M+H-H2O]+ 356.77753 144.9
[M+HCOO]- 418.77847 152.7
[M+CH3COO]- 432.79412 206.6
[M+Na-2H]- 394.75494 137.8
[M]+ 373.77972 169.8
[M]- 373.78082 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.