CID 615893

2-iodo-2'-methoxybenzanilide

Structural Information

Molecular Formula
C14H12INO2
SMILES
COC1=CC=CC=C1NC(=O)C2=CC=CC=C2I
InChI
InChI=1S/C14H12INO2/c1-18-13-9-5-4-8-12(13)16-14(17)10-6-2-3-7-11(10)15/h2-9H,1H3,(H,16,17)
InChIKey
RZRQRXRUBBOOIJ-UHFFFAOYSA-N
Compound name
2-iodo-N-(2-methoxyphenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

352.99127 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.99855 166.9
[M+Na]+ 375.98049 166.9
[M-H]- 351.98399 166.2
[M+NH4]+ 371.02509 178.8
[M+K]+ 391.95443 169.6
[M+H-H2O]+ 335.98853 155.4
[M+HCOO]- 397.98947 186.1
[M+CH3COO]- 412.00512 203.1
[M+Na-2H]- 373.96594 159.7
[M]+ 352.99072 164.6
[M]- 352.99182 164.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe