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]+ 438.01735 195.6
[M+Na]+ 459.99929 199.6
[M-H]- 436.00279 200.0
[M+NH4]+ 455.04389 205.3
[M+K]+ 475.97323 190.0
[M+H-H2O]+ 420.00733 194.0
[M+HCOO]- 482.00827 202.7
[M+CH3COO]- 496.02392 221.8
[M+Na-2H]- 457.98474 201.0
[M]+ 437.00952 197.2
[M]- 437.01062 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.