CID 26598347

6-amino-2-fluoro-3-iodobenzonitrile

Structural Information

Molecular Formula
C7H4FIN2
SMILES
C1=CC(=C(C(=C1N)C#N)F)I
InChI
InChI=1S/C7H4FIN2/c8-7-4(3-10)6(11)2-1-5(7)9/h1-2H,11H2
InChIKey
NXYRGTVCZLTGEZ-UHFFFAOYSA-N
Compound name
6-amino-2-fluoro-3-iodobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

261.9403 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.947576 139.9
[M+Na]+ 284.929518 144.8
[M-H]- 260.933024 136.1
[M+NH4]+ 279.974123 154.3
[M+K]+ 300.903458 146.9
[M+H-H2O]+ 244.937560 124.6
[M+HCOO]- 306.938501 155.8
[M+CH3COO]- 320.954151 199.5
[M+Na-2H]- 282.914966 133.7
[M]+ 261.93975142 130.6
[M]- 261.94084858 130.6
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