CID 9570819

73826-57-0

Structural Information

Molecular Formula
C13H10Cl3N3O2
SMILES
C1=CC=C2C(=C1)C=CC=C2NC(=O)O/N=C(/C(Cl)(Cl)Cl)\N
InChI
InChI=1S/C13H10Cl3N3O2/c14-13(15,16)11(17)19-21-12(20)18-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H2,17,19)(H,18,20)
InChIKey
BXPHIEFYGJEEDS-UHFFFAOYSA-N
Compound name
[(Z)-(1-amino-2,2,2-trichloroethylidene)amino] N-naphthalen-1-ylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.98386 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.99114 173.3
[M+Na]+ 367.97308 181.0
[M-H]- 343.97658 176.9
[M+NH4]+ 363.01768 188.6
[M+K]+ 383.94702 175.5
[M+H-H2O]+ 327.98112 169.0
[M+HCOO]- 389.98206 182.8
[M+CH3COO]- 403.99771 213.3
[M+Na-2H]- 365.95853 178.4
[M]+ 344.98331 176.2
[M]- 344.98441 176.2
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.