CID 14435206

2-amino-3-iodobenzonitrile

Structural Information

Molecular Formula
C7H5IN2
SMILES
C1=CC(=C(C(=C1)I)N)C#N
InChI
InChI=1S/C7H5IN2/c8-6-3-1-2-5(4-9)7(6)10/h1-3H,10H2
InChIKey
ZEHZEHAGUWIUQV-UHFFFAOYSA-N
Compound name
2-amino-3-iodobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

243.94975 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.95703 139.6
[M+Na]+ 266.93897 144.9
[M+NH4]+ 261.98357 141.3
[M+K]+ 282.91291 138.6
[M-H]- 242.94247 130.2
[M+Na-2H]- 264.92442 133.0
[M]+ 243.94920 135.9
[M]- 243.95030 135.9
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