CID 12982458

1,5-dibromo-2,4-difluoro-3-iodobenzene

Structural Information

Molecular Formula
C6HBr2F2I
SMILES
C1=C(C(=C(C(=C1Br)F)I)F)Br
InChI
InChI=1S/C6HBr2F2I/c7-2-1-3(8)5(10)6(11)4(2)9/h1H
InChIKey
KVZXRRIPHIFRIT-UHFFFAOYSA-N
Compound name
1,5-dibromo-2,4-difluoro-3-iodobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

395.7458 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.75308 142.1
[M+Na]+ 418.73502 149.7
[M-H]- 394.73852 142.2
[M+NH4]+ 413.77962 158.1
[M+K]+ 434.70896 139.0
[M+H-H2O]+ 378.74306 146.0
[M+HCOO]- 440.74400 153.8
[M+CH3COO]- 454.75965 209.1
[M+Na-2H]- 416.72047 139.0
[M]+ 395.74525 170.4
[M]- 395.74635 170.4
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