CID 522722

2-fluoro-6-iodobenzonitrile

Structural Information

Molecular Formula
C7H3FIN
SMILES
C1=CC(=C(C(=C1)I)C#N)F
InChI
InChI=1S/C7H3FIN/c8-6-2-1-3-7(9)5(6)4-10/h1-3H
InChIKey
FAACTMVXBNSPJA-UHFFFAOYSA-N
Compound name
2-fluoro-6-iodobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

359
Patents

246.92941 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.93669 131.1
[M+Na]+ 269.91863 136.3
[M-H]- 245.92213 127.6
[M+NH4]+ 264.96323 146.4
[M+K]+ 285.89257 138.4
[M+H-H2O]+ 229.92667 116.1
[M+HCOO]- 291.92761 147.0
[M+CH3COO]- 305.94326 195.1
[M+Na-2H]- 267.90408 126.8
[M]+ 246.92886 123.2
[M]- 246.92996 123.2
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