CID 10955815

4-hydroxy-3-iodobenzonitrile

Structural Information

Molecular Formula
C7H4INO
SMILES
C1=CC(=C(C=C1C#N)I)O
InChI
InChI=1S/C7H4INO/c8-6-3-5(4-9)1-2-7(6)10/h1-3,10H
InChIKey
XAONDNGLTPLRKO-UHFFFAOYSA-N
Compound name
4-hydroxy-3-iodobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

181
Patents

244.93376 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.94104 137.0
[M+Na]+ 267.92298 141.8
[M-H]- 243.92648 133.6
[M+NH4]+ 262.96758 151.8
[M+K]+ 283.89692 143.9
[M+H-H2O]+ 227.93102 122.9
[M+HCOO]- 289.93196 152.6
[M+CH3COO]- 303.94761 192.2
[M+Na-2H]- 265.90843 132.3
[M]+ 244.93321 129.6
[M]- 244.93431 129.6
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