CID 9681332

1-(((((2-methylbutylidene)amino)oxy)carbonyl)amino)-3-(trifluoromethyl)benzene

Structural Information

Molecular Formula
C13H15F3N2O2
SMILES
CCC(C)/C=N/OC(=O)NC1=CC=CC(=C1)C(F)(F)F
InChI
InChI=1S/C13H15F3N2O2/c1-3-9(2)8-17-20-12(19)18-11-6-4-5-10(7-11)13(14,15)16/h4-9H,3H2,1-2H3,(H,18,19)/b17-8+
InChIKey
WUIGTLLCACQOSD-CAOOACKPSA-N
Compound name
[(E)-2-methylbutylideneamino] N-[3-(trifluoromethyl)phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.10855 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.11583 163.1
[M+Na]+ 311.09777 169.2
[M-H]- 287.10127 163.9
[M+NH4]+ 306.14237 178.8
[M+K]+ 327.07171 167.2
[M+H-H2O]+ 271.10581 153.4
[M+HCOO]- 333.10675 184.0
[M+CH3COO]- 347.12240 206.8
[M+Na-2H]- 309.08322 166.0
[M]+ 288.10800 161.0
[M]- 288.10910 161.0
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.