CID 4599206

Methyl n-(1-anilino-2,2,2-trichloroethyl)carbamate

Structural Information

Molecular Formula
C10H11Cl3N2O2
SMILES
COC(=O)NC(C(Cl)(Cl)Cl)NC1=CC=CC=C1
InChI
InChI=1S/C10H11Cl3N2O2/c1-17-9(16)15-8(10(11,12)13)14-7-5-3-2-4-6-7/h2-6,8,14H,1H3,(H,15,16)
InChIKey
XSPTYRKFDSFESZ-UHFFFAOYSA-N
Compound name
methyl N-(1-anilino-2,2,2-trichloroethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.98862 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.99590 161.1
[M+Na]+ 318.97784 167.8
[M-H]- 294.98134 163.0
[M+NH4]+ 314.02244 177.0
[M+K]+ 334.95178 162.9
[M+H-H2O]+ 278.98588 157.4
[M+HCOO]- 340.98682 169.6
[M+CH3COO]- 355.00247 200.8
[M+Na-2H]- 316.96329 165.2
[M]+ 295.98807 163.6
[M]- 295.98917 163.6
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.