CID 88264414

2,2,2-trifluoroethyl n-ethenylcarbamate

Structural Information

Molecular Formula
C5H6F3NO2
SMILES
C=CNC(=O)OCC(F)(F)F
InChI
InChI=1S/C5H6F3NO2/c1-2-9-4(10)11-3-5(6,7)8/h2H,1,3H2,(H,9,10)
InChIKey
PRAUGMYKDWESQC-UHFFFAOYSA-N
Compound name
2,2,2-trifluoroethyl N-ethenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

169.03506 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.04234 129.1
[M+Na]+ 192.02428 137.0
[M-H]- 168.02778 125.8
[M+NH4]+ 187.06888 149.3
[M+K]+ 207.99822 136.3
[M+H-H2O]+ 152.03232 122.2
[M+HCOO]- 214.03326 149.5
[M+CH3COO]- 228.04891 178.4
[M+Na-2H]- 190.00973 134.7
[M]+ 169.03451 125.6
[M]- 169.03561 125.6
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

patents stripe