CID 136794990

Dtxsid801028683

Structural Information

Molecular Formula
C13H14ClF3N2O2
SMILES
CCCOCC(=NC1=C(C=C(C=C1)Cl)C(F)(F)F)NC=O
InChI
InChI=1S/C13H14ClF3N2O2/c1-2-5-21-7-12(18-8-20)19-11-4-3-9(14)6-10(11)13(15,16)17/h3-4,6,8H,2,5,7H2,1H3,(H,18,19,20)
InChIKey
NZXGGWUIOKZDRF-UHFFFAOYSA-N
Compound name
N-[N-[4-chloro-2-(trifluoromethyl)phenyl]-C-(propoxymethyl)carbonimidoyl]formamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

322.06958 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.07686 168.4
[M+Na]+ 345.05880 176.5
[M-H]- 321.06230 169.3
[M+NH4]+ 340.10340 184.0
[M+K]+ 361.03274 171.8
[M+H-H2O]+ 305.06684 159.7
[M+HCOO]- 367.06778 185.8
[M+CH3COO]- 381.08343 211.5
[M+Na-2H]- 343.04425 171.4
[M]+ 322.06903 169.7
[M]- 322.07013 169.7
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.