CID 50998372

1-chloro-3,4-difluoro-2-iodobenzene

Structural Information

Molecular Formula
C6H2ClF2I
SMILES
C1=CC(=C(C(=C1F)F)I)Cl
InChI
InChI=1S/C6H2ClF2I/c7-3-1-2-4(8)5(9)6(3)10/h1-2H
InChIKey
SPMBTZLENMPAMN-UHFFFAOYSA-N
Compound name
1-chloro-3,4-difluoro-2-iodobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.88577 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.89305 126.8
[M+Na]+ 296.87499 131.7
[M-H]- 272.87849 121.9
[M+NH4]+ 291.91959 144.0
[M+K]+ 312.84893 133.4
[M+H-H2O]+ 256.88303 117.9
[M+HCOO]- 318.88397 140.8
[M+CH3COO]- 332.89962 186.7
[M+Na-2H]- 294.86044 121.2
[M]+ 273.88522 124.1
[M]- 273.88632 124.1
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.