CID 2736563

202982-67-0

Structural Information

Molecular Formula
C6H3ClFI
SMILES
C1=CC(=C(C=C1I)F)Cl
InChI
InChI=1S/C6H3ClFI/c7-5-2-1-4(9)3-6(5)8/h1-3H
InChIKey
VNMRRTIDEYNZOV-UHFFFAOYSA-N
Compound name
1-chloro-2-fluoro-4-iodobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

342
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

literature stripe

Patent stripe

patents stripe