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
1
Annotation Hits

0
References

476
Patents

255.8952 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.90248 126.3
[M+Na]+ 278.88442 130.3
[M-H]- 254.88792 122.3
[M+NH4]+ 273.92902 144.0
[M+K]+ 294.85836 132.4
[M+H-H2O]+ 238.89246 118.1
[M+HCOO]- 300.89340 141.3
[M+CH3COO]- 314.90905 183.0
[M+Na-2H]- 276.86987 121.8
[M]+ 255.89465 124.4
[M]- 255.89575 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