CID 89236758

5-amino-2-iodobenzonitrile

Structural Information

Molecular Formula
C7H5IN2
SMILES
C1=CC(=C(C=C1N)C#N)I
InChI
InChI=1S/C7H5IN2/c8-7-2-1-6(10)3-5(7)4-9/h1-3H,10H2
InChIKey
WGHCNVPVZGULDI-UHFFFAOYSA-N
Compound name
5-amino-2-iodobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

243.94975 Da
Monoisotopic Mass

1.6
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

No literature data available for this compound.

Patent stripe

patents stripe