CID 23037942

Schembl3907790

Structural Information

Molecular Formula
C7H4INO
SMILES
C1=C(C=C(C=C1O)I)C#N
InChI
InChI=1S/C7H4INO/c8-6-1-5(4-9)2-7(10)3-6/h1-3,10H
InChIKey
ZNOWOWZVEDXOSG-UHFFFAOYSA-N
Compound name
3-hydroxy-5-iodobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
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

No literature data available for this compound.

Patent stripe

patents stripe