CID 5225622

N-(2,3-dimethylphenyl)-2-iodoacetamide

Structural Information

Molecular Formula
C10H12INO
SMILES
CC1=C(C(=CC=C1)NC(=O)CI)C
InChI
InChI=1S/C10H12INO/c1-7-4-3-5-9(8(7)2)12-10(13)6-11/h3-5H,6H2,1-2H3,(H,12,13)
InChIKey
NBJJOGNDMHFQDF-UHFFFAOYSA-N
Compound name
N-(2,3-dimethylphenyl)-2-iodoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

288.99637 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.00365 150.7
[M+Na]+ 311.98559 151.3
[M-H]- 287.98909 147.6
[M+NH4]+ 307.03019 165.7
[M+K]+ 327.95953 155.0
[M+H-H2O]+ 271.99363 141.1
[M+HCOO]- 333.99457 169.7
[M+CH3COO]- 348.01022 193.9
[M+Na-2H]- 309.97104 143.0
[M]+ 288.99582 148.3
[M]- 288.99692 148.3
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