CID 67515812

2-chloro-6-fluoro-3-iodobenzonitrile

Structural Information

Molecular Formula
C7H2ClFIN
SMILES
C1=CC(=C(C(=C1F)C#N)Cl)I
InChI
InChI=1S/C7H2ClFIN/c8-7-4(3-11)5(9)1-2-6(7)10/h1-2H
InChIKey
PHOHSMLUOXXLNH-UHFFFAOYSA-N
Compound name
2-chloro-6-fluoro-3-iodobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

280.89044 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.89772 133.9
[M+Na]+ 303.87966 140.7
[M-H]- 279.88316 130.6
[M+NH4]+ 298.92426 149.2
[M+K]+ 319.85360 141.1
[M+H-H2O]+ 263.88770 120.0
[M+HCOO]- 325.88864 146.1
[M+CH3COO]- 339.90429 199.2
[M+Na-2H]- 301.86511 129.0
[M]+ 280.88989 128.1
[M]- 280.89099 128.1
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

patents stripe