CID 4351197

3-methyl-2',4',6'-trichlorobenzanilide

Structural Information

Molecular Formula
C14H10Cl3NO
SMILES
CC1=CC(=CC=C1)C(=O)NC2=C(C=C(C=C2Cl)Cl)Cl
InChI
InChI=1S/C14H10Cl3NO/c1-8-3-2-4-9(5-8)14(19)18-13-11(16)6-10(15)7-12(13)17/h2-7H,1H3,(H,18,19)
InChIKey
MSPOBOABLPULEY-UHFFFAOYSA-N
Compound name
3-methyl-N-(2,4,6-trichlorophenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.9828 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.99008 166.9
[M+Na]+ 335.97202 183.6
[M+NH4]+ 331.01662 176.1
[M+K]+ 351.94596 174.0
[M-H]- 311.97552 171.8
[M+Na-2H]- 333.95747 175.8
[M]+ 312.98225 171.8
[M]- 312.98335 171.8
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.