CID 9167280

2,2,2-trifluoroethyl n-methylcarbamate

Structural Information

Molecular Formula
C4H6F3NO2
SMILES
CNC(=O)OCC(F)(F)F
InChI
InChI=1S/C4H6F3NO2/c1-8-3(9)10-2-4(5,6)7/h2H2,1H3,(H,8,9)
InChIKey
SMYIKNCXRMTISP-UHFFFAOYSA-N
Compound name
2,2,2-trifluoroethyl N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

157.03506 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.042336 126.0
[M+Na]+ 180.024278 133.9
[M-H]- 156.027784 122.8
[M+NH4]+ 175.068883 146.7
[M+K]+ 195.998218 134.1
[M+H-H2O]+ 140.032320 119.1
[M+HCOO]- 202.033261 146.4
[M+CH3COO]- 216.048911 176.3
[M+Na-2H]- 178.009726 132.0
[M]+ 157.03451142 122.7
[M]- 157.03560858 122.7
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