CID 2736559

2-chloro-4-fluoro-1-iodobenzene

Structural Information

Molecular Formula
C6H3ClFI
SMILES
C1=CC(=C(C=C1F)Cl)I
InChI
InChI=1S/C6H3ClFI/c7-5-3-4(8)1-2-6(5)9/h1-3H
InChIKey
POTCKVPDYXEGSV-UHFFFAOYSA-N
Compound name
2-chloro-4-fluoro-1-iodobenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

460
Patents

255.8952 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.902476 126.3
[M+Na]+ 278.884418 130.3
[M-H]- 254.887924 122.3
[M+NH4]+ 273.929023 144.0
[M+K]+ 294.858358 132.4
[M+H-H2O]+ 238.892460 118.1
[M+HCOO]- 300.893401 141.3
[M+CH3COO]- 314.909051 183.0
[M+Na-2H]- 276.869866 121.8
[M]+ 255.89465142 124.4
[M]- 255.89574858 124.4
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