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]+ 262.94758 139.9
[M+Na]+ 284.92952 144.8
[M-H]- 260.93302 136.1
[M+NH4]+ 279.97412 154.3
[M+K]+ 300.90346 146.9
[M+H-H2O]+ 244.93756 124.6
[M+HCOO]- 306.93850 155.8
[M+CH3COO]- 320.95415 199.5
[M+Na-2H]- 282.91497 133.7
[M]+ 261.93975 130.6
[M]- 261.94085 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