CID 5162518

3-iodo-n-(2,2,2-trichloro-1-(2-toluidino)ethyl)benzamide

Structural Information

Molecular Formula
C16H14Cl3IN2O
SMILES
CC1=CC=CC=C1NC(C(Cl)(Cl)Cl)NC(=O)C2=CC(=CC=C2)I
InChI
InChI=1S/C16H14Cl3IN2O/c1-10-5-2-3-8-13(10)21-15(16(17,18)19)22-14(23)11-6-4-7-12(20)9-11/h2-9,15,21H,1H3,(H,22,23)
InChIKey
HBNTWWDXIMKWAF-UHFFFAOYSA-N
Compound name
3-iodo-N-[2,2,2-trichloro-1-(2-methylanilino)ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

481.92163 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.92891 191.9
[M+Na]+ 504.91085 192.0
[M-H]- 480.91435 189.6
[M+NH4]+ 499.95545 200.3
[M+K]+ 520.88479 190.8
[M+H-H2O]+ 464.91889 182.8
[M+HCOO]- 526.91983 195.1
[M+CH3COO]- 540.93548 223.4
[M+Na-2H]- 502.89630 182.4
[M]+ 481.92108 191.5
[M]- 481.92218 191.5
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

No patent data available for this compound.