CID 225514

5438-88-0

Structural Information

Molecular Formula
C18H12Cl3NO2
SMILES
C1=CC=C2C(=C1)C=CC=C2NC(=O)COC3=CC(=C(C=C3Cl)Cl)Cl
InChI
InChI=1S/C18H12Cl3NO2/c19-13-8-15(21)17(9-14(13)20)24-10-18(23)22-16-7-3-5-11-4-1-2-6-12(11)16/h1-9H,10H2,(H,22,23)
InChIKey
ICXNNRSVLFUBFC-UHFFFAOYSA-N
Compound name
N-naphthalen-1-yl-2-(2,4,5-trichlorophenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.99335 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.00063 180.8
[M+Na]+ 401.98257 190.9
[M-H]- 377.98607 186.5
[M+NH4]+ 397.02717 195.1
[M+K]+ 417.95651 183.4
[M+H-H2O]+ 361.99061 174.8
[M+HCOO]- 423.99155 189.1
[M+CH3COO]- 438.00720 191.1
[M+Na-2H]- 399.96802 183.8
[M]+ 378.99280 186.6
[M]- 378.99390 186.6
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.