CID 2736562

6797-79-1

Structural Information

Molecular Formula
C6H3ClFI
SMILES
C1=CC(=C(C=C1Cl)F)I
InChI
InChI=1S/C6H3ClFI/c7-4-1-2-6(9)5(8)3-4/h1-3H
InChIKey
RSTFBOIFYXJIMR-UHFFFAOYSA-N
Compound name
4-chloro-2-fluoro-1-iodobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

648
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

literature stripe

Patent stripe

patents stripe