CID 2724606

1,3-dibromo-5-fluoro-2-iodobenzene

Structural Information

Molecular Formula
C6H2Br2FI
SMILES
C1=C(C=C(C(=C1Br)I)Br)F
InChI
InChI=1S/C6H2Br2FI/c7-4-1-3(9)2-5(8)6(4)10/h1-2H
InChIKey
LIWKANDEJFABTQ-UHFFFAOYSA-N
Compound name
1,3-dibromo-5-fluoro-2-iodobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

102
Patents

377.7552 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.76248 139.4
[M+Na]+ 400.74442 146.4
[M-H]- 376.74792 140.3
[M+NH4]+ 395.78902 155.8
[M+K]+ 416.71836 136.1
[M+H-H2O]+ 360.75246 144.0
[M+HCOO]- 422.75340 151.9
[M+CH3COO]- 436.76905 206.3
[M+Na-2H]- 398.72987 137.4
[M]+ 377.75465 168.4
[M]- 377.75575 168.4
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