CID 16226839

2,2,2-trifluoroethyl n-(2,4-difluorophenyl)carbamate

Structural Information

Molecular Formula
C9H6F5NO2
SMILES
C1=CC(=C(C=C1F)F)NC(=O)OCC(F)(F)F
InChI
InChI=1S/C9H6F5NO2/c10-5-1-2-7(6(11)3-5)15-8(16)17-4-9(12,13)14/h1-3H,4H2,(H,15,16)
InChIKey
ATPSBSXDXBFCBE-UHFFFAOYSA-N
Compound name
2,2,2-trifluoroethyl N-(2,4-difluorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.03188 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.03916 146.8
[M+Na]+ 278.02110 156.1
[M-H]- 254.02460 144.5
[M+NH4]+ 273.06570 163.7
[M+K]+ 293.99504 153.3
[M+H-H2O]+ 238.02914 136.8
[M+HCOO]- 300.03008 165.1
[M+CH3COO]- 314.04573 194.8
[M+Na-2H]- 276.00655 150.3
[M]+ 255.03133 141.4
[M]- 255.03243 141.4
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.