CID 3860384

2-methyl-n-[2,2,2-trichloro-1-(4-formylphenoxy)ethyl]propanamide

Structural Information

Molecular Formula
C13H14Cl3NO3
SMILES
CC(C)C(=O)NC(C(Cl)(Cl)Cl)OC1=CC=C(C=C1)C=O
InChI
InChI=1S/C13H14Cl3NO3/c1-8(2)11(19)17-12(13(14,15)16)20-10-5-3-9(7-18)4-6-10/h3-8,12H,1-2H3,(H,17,19)
InChIKey
YCINBPWVFJKMKA-UHFFFAOYSA-N
Compound name
2-methyl-N-[2,2,2-trichloro-1-(4-formylphenoxy)ethyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.00394 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.01122 168.8
[M+Na]+ 359.99316 176.0
[M-H]- 335.99666 171.0
[M+NH4]+ 355.03776 183.7
[M+K]+ 375.96710 171.0
[M+H-H2O]+ 320.00120 165.4
[M+HCOO]- 382.00214 175.0
[M+CH3COO]- 396.01779 208.2
[M+Na-2H]- 357.97861 169.9
[M]+ 337.00339 173.8
[M]- 337.00449 173.8
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.