CID 532053

N-(1-naphthyl)-2,2,2-trichloroacetamide

Structural Information

Molecular Formula
C12H8Cl3NO
SMILES
C1=CC=C2C(=C1)C=CC=C2NC(=O)C(Cl)(Cl)Cl
InChI
InChI=1S/C12H8Cl3NO/c13-12(14,15)11(17)16-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,16,17)
InChIKey
FEXNJZJFISBCHC-UHFFFAOYSA-N
Compound name
2,2,2-trichloro-N-naphthalen-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.96713 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.97441 158.0
[M+Na]+ 309.95635 167.4
[M-H]- 285.95985 160.9
[M+NH4]+ 305.00095 175.9
[M+K]+ 325.93029 160.8
[M+H-H2O]+ 269.96439 154.4
[M+HCOO]- 331.96533 165.3
[M+CH3COO]- 345.98098 198.3
[M+Na-2H]- 307.94180 164.4
[M]+ 286.96658 160.7
[M]- 286.96768 160.7
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.