CID 218604

40912-85-4

Structural Information

Molecular Formula
C8H8INO2
SMILES
CC1=CC(=CC(=C1O)C(=O)N)I
InChI
InChI=1S/C8H8INO2/c1-4-2-5(9)3-6(7(4)11)8(10)12/h2-3,11H,1H3,(H2,10,12)
InChIKey
ZSBRSRPSPOMQHJ-UHFFFAOYSA-N
Compound name
2-hydroxy-5-iodo-3-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

276.96 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.967276 147.4
[M+Na]+ 299.949218 149.2
[M-H]- 275.952724 143.2
[M+NH4]+ 294.993823 162.1
[M+K]+ 315.923158 152.7
[M+H-H2O]+ 259.957260 138.4
[M+HCOO]- 321.958201 165.2
[M+CH3COO]- 335.973851 188.9
[M+Na-2H]- 297.934666 138.5
[M]+ 276.95945142 143.4
[M]- 276.96054858 143.4
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