CID 45791478

2,2,2-trifluoroethyl n-ethylcarbamate

Structural Information

Molecular Formula
C5H8F3NO2
SMILES
CCNC(=O)OCC(F)(F)F
InChI
InChI=1S/C5H8F3NO2/c1-2-9-4(10)11-3-5(6,7)8/h2-3H2,1H3,(H,9,10)
InChIKey
UCQSNLPSNYTOCJ-UHFFFAOYSA-N
Compound name
2,2,2-trifluoroethyl N-ethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

171.05072 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.05800 130.7
[M+Na]+ 194.03994 138.3
[M-H]- 170.04344 127.3
[M+NH4]+ 189.08454 150.9
[M+K]+ 210.01388 138.2
[M+H-H2O]+ 154.04798 123.7
[M+HCOO]- 216.04892 150.9
[M+CH3COO]- 230.06457 179.4
[M+Na-2H]- 192.02539 136.2
[M]+ 171.05017 127.8
[M]- 171.05127 127.8
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