CID 4416395

4-amino-3-iodobenzonitrile

Structural Information

Molecular Formula
C7H5IN2
SMILES
C1=CC(=C(C=C1C#N)I)N
InChI
InChI=1S/C7H5IN2/c8-6-3-5(4-9)1-2-7(6)10/h1-3H,10H2
InChIKey
UOWVTQFTEAYDLM-UHFFFAOYSA-N
Compound name
4-amino-3-iodobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

313
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 140.6
[M+Na]+ 266.93897 144.8
[M-H]- 242.94247 137.7
[M+NH4]+ 261.98357 155.4
[M+K]+ 282.91291 147.0
[M+H-H2O]+ 226.94701 125.9
[M+HCOO]- 288.94795 157.3
[M+CH3COO]- 302.96360 196.2
[M+Na-2H]- 264.92442 135.2
[M]+ 243.94920 131.9
[M]- 243.95030 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