CID 71758723

2,2,2-trifluoroethyl n-(2-acetylphenyl)carbamate

Structural Information

Molecular Formula
C11H10F3NO3
SMILES
CC(=O)C1=CC=CC=C1NC(=O)OCC(F)(F)F
InChI
InChI=1S/C11H10F3NO3/c1-7(16)8-4-2-3-5-9(8)15-10(17)18-6-11(12,13)14/h2-5H,6H2,1H3,(H,15,17)
InChIKey
APMDAMQCIXBBAT-UHFFFAOYSA-N
Compound name
2,2,2-trifluoroethyl N-(2-acetylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.06128 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.06856 152.5
[M+Na]+ 284.05050 159.8
[M-H]- 260.05400 152.3
[M+NH4]+ 279.09510 168.8
[M+K]+ 300.02444 157.9
[M+H-H2O]+ 244.05854 143.8
[M+HCOO]- 306.05948 171.7
[M+CH3COO]- 320.07513 196.0
[M+Na-2H]- 282.03595 155.8
[M]+ 261.06073 150.1
[M]- 261.06183 150.1
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.