CID 3859700

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

Structural Information

Molecular Formula
C17H14Cl3NO3
SMILES
CC1=CC=C(C=C1)C(=O)NC(C(Cl)(Cl)Cl)OC2=CC=C(C=C2)C=O
InChI
InChI=1S/C17H14Cl3NO3/c1-11-2-6-13(7-3-11)15(23)21-16(17(18,19)20)24-14-8-4-12(10-22)5-9-14/h2-10,16H,1H3,(H,21,23)
InChIKey
KPCANYALCGIKNX-UHFFFAOYSA-N
Compound name
4-methyl-N-[2,2,2-trichloro-1-(4-formylphenoxy)ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.00394 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.01122 182.0
[M+Na]+ 407.99316 189.8
[M-H]- 383.99666 187.1
[M+NH4]+ 403.03776 194.8
[M+K]+ 423.96710 183.6
[M+H-H2O]+ 368.00120 176.6
[M+HCOO]- 430.00214 189.0
[M+CH3COO]- 444.01779 215.9
[M+Na-2H]- 405.97861 183.8
[M]+ 385.00339 187.4
[M]- 385.00449 187.4
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.