CID 51987

O-acetotoluidide, 2-iodo-

Structural Information

Molecular Formula
C9H10INO
SMILES
CC1=CC=CC=C1NC(=O)CI
InChI
InChI=1S/C9H10INO/c1-7-4-2-3-5-8(7)11-9(12)6-10/h2-5H,6H2,1H3,(H,11,12)
InChIKey
PELYSUXCWVOHPG-UHFFFAOYSA-N
Compound name
2-iodo-N-(2-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

274.9807 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.98798 147.0
[M+Na]+ 297.96992 147.1
[M-H]- 273.97342 143.7
[M+NH4]+ 293.01452 162.3
[M+K]+ 313.94386 151.1
[M+H-H2O]+ 257.97796 137.4
[M+HCOO]- 319.97890 166.4
[M+CH3COO]- 333.99455 189.9
[M+Na-2H]- 295.95537 140.5
[M]+ 274.98015 144.0
[M]- 274.98125 144.0
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