CID 141906862

4-hydroxy-3-iodo-5-methylbenzonitrile

Structural Information

Molecular Formula
C8H6INO
SMILES
CC1=CC(=CC(=C1O)I)C#N
InChI
InChI=1S/C8H6INO/c1-5-2-6(4-10)3-7(9)8(5)11/h2-3,11H,1H3
InChIKey
XVAMUJKCROQERO-UHFFFAOYSA-N
Compound name
4-hydroxy-3-iodo-5-methylbenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

258.9494 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.95668 140.1
[M+Na]+ 281.93862 145.2
[M-H]- 257.94212 136.9
[M+NH4]+ 276.98322 154.7
[M+K]+ 297.91256 147.3
[M+H-H2O]+ 241.94666 126.1
[M+HCOO]- 303.94760 155.4
[M+CH3COO]- 317.96325 195.7
[M+Na-2H]- 279.92407 134.4
[M]+ 258.94885 133.3
[M]- 258.94995 133.3
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