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

23
Patents

243.94975 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.957026 140.6
[M+Na]+ 266.938968 144.8
[M-H]- 242.942474 137.7
[M+NH4]+ 261.983573 155.4
[M+K]+ 282.912908 147.0
[M+H-H2O]+ 226.947010 125.9
[M+HCOO]- 288.947951 157.3
[M+CH3COO]- 302.963601 196.2
[M+Na-2H]- 264.924416 135.2
[M]+ 243.94920142 131.9
[M]- 243.95029858 131.9
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