CID 26985934

4-fluoro-2-iodobenzonitrile

Structural Information

Molecular Formula
C7H3FIN
SMILES
C1=CC(=C(C=C1F)I)C#N
InChI
InChI=1S/C7H3FIN/c8-6-2-1-5(4-10)7(9)3-6/h1-3H
InChIKey
RGCHISPSDYWBMX-UHFFFAOYSA-N
Compound name
4-fluoro-2-iodobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
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

No literature data available for this compound.

Patent stripe

patents stripe