CID 3093617

302820-80-0

Structural Information

Molecular Formula
C19H14Cl3N3O3
SMILES
C1=CC=C2C(=C1)C=CC=C2NC(C(Cl)(Cl)Cl)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C19H14Cl3N3O3/c20-19(21,22)18(23-16-10-4-6-12-5-1-2-9-15(12)16)24-17(26)13-7-3-8-14(11-13)25(27)28/h1-11,18,23H,(H,24,26)
InChIKey
SBHWIKZUXBWWLI-UHFFFAOYSA-N
Compound name
3-nitro-N-[2,2,2-trichloro-1-(naphthalen-1-ylamino)ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

437.01007 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.017346 195.6
[M+Na]+ 459.999288 199.6
[M-H]- 436.002794 200.0
[M+NH4]+ 455.043893 205.3
[M+K]+ 475.973228 190.0
[M+H-H2O]+ 420.007330 194.0
[M+HCOO]- 482.008271 202.7
[M+CH3COO]- 496.023921 221.8
[M+Na-2H]- 457.984736 201.0
[M]+ 437.00952142 197.2
[M]- 437.01061858 197.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.