CID 61679393

2,2,2-trifluoroethyl n-(2-fluoro-4-nitrophenyl)carbamate

Structural Information

Molecular Formula
C9H6F4N2O4
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])F)NC(=O)OCC(F)(F)F
InChI
InChI=1S/C9H6F4N2O4/c10-6-3-5(15(17)18)1-2-7(6)14-8(16)19-4-9(11,12)13/h1-3H,4H2,(H,14,16)
InChIKey
GNBJDHXROTZIFU-UHFFFAOYSA-N
Compound name
2,2,2-trifluoroethyl N-(2-fluoro-4-nitrophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.02637 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.03365 149.8
[M+Na]+ 305.01559 157.5
[M-H]- 281.01909 148.7
[M+NH4]+ 300.06019 164.6
[M+K]+ 320.98953 151.5
[M+H-H2O]+ 265.02363 144.9
[M+HCOO]- 327.02457 170.4
[M+CH3COO]- 341.04022 192.8
[M+Na-2H]- 303.00104 155.9
[M]+ 282.02582 144.5
[M]- 282.02692 144.5
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.