CID 3785456

N-(2,2,2-trichloro-1-(4-formylphenoxy)ethyl)-1-naphthamide

Structural Information

Molecular Formula
C20H14Cl3NO3
SMILES
C1=CC=C2C(=C1)C=CC=C2C(=O)NC(C(Cl)(Cl)Cl)OC3=CC=C(C=C3)C=O
InChI
InChI=1S/C20H14Cl3NO3/c21-20(22,23)19(27-15-10-8-13(12-25)9-11-15)24-18(26)17-7-3-5-14-4-1-2-6-16(14)17/h1-12,19H,(H,24,26)
InChIKey
ULWNADHCMNOVAA-UHFFFAOYSA-N
Compound name
N-[2,2,2-trichloro-1-(4-formylphenoxy)ethyl]naphthalene-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.00394 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.01122 190.8
[M+Na]+ 443.99316 198.7
[M-H]- 419.99666 196.4
[M+NH4]+ 439.03776 203.0
[M+K]+ 459.96710 191.9
[M+H-H2O]+ 404.00120 184.8
[M+HCOO]- 466.00214 196.6
[M+CH3COO]- 480.01779 222.2
[M+Na-2H]- 441.97861 194.3
[M]+ 421.00339 196.5
[M]- 421.00449 196.5
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.