CID 39871375

2,2,2-trifluoroethyl n-[4-(trifluoromethoxy)phenyl]carbamate

Structural Information

Molecular Formula
C10H7F6NO3
SMILES
C1=CC(=CC=C1NC(=O)OCC(F)(F)F)OC(F)(F)F
InChI
InChI=1S/C10H7F6NO3/c11-9(12,13)5-19-8(18)17-6-1-3-7(4-2-6)20-10(14,15)16/h1-4H,5H2,(H,17,18)
InChIKey
GOLXTFRDTJTGJL-UHFFFAOYSA-N
Compound name
2,2,2-trifluoroethyl N-[4-(trifluoromethoxy)phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.03302 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.04030 157.5
[M+Na]+ 326.02224 165.8
[M-H]- 302.02574 153.6
[M+NH4]+ 321.06684 172.0
[M+K]+ 341.99618 163.4
[M+H-H2O]+ 286.03028 146.4
[M+HCOO]- 348.03122 172.9
[M+CH3COO]- 362.04687 201.4
[M+Na-2H]- 324.00769 161.6
[M]+ 303.03247 151.4
[M]- 303.03357 151.4
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.