CID 9504098

2,2,2-trifluoroethyl carbamate

Structural Information

Molecular Formula
C3H4F3NO2
SMILES
C(C(F)(F)F)OC(=O)N
InChI
InChI=1S/C3H4F3NO2/c4-3(5,6)1-9-2(7)8/h1H2,(H2,7,8)
InChIKey
PBOAGYSGWIHKHA-UHFFFAOYSA-N
Compound name
2,2,2-trifluoroethyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

306
Patents

143.01941 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.026686 121.4
[M+Na]+ 166.008628 129.7
[M-H]- 142.012134 117.8
[M+NH4]+ 161.053233 142.4
[M+K]+ 181.982568 129.8
[M+H-H2O]+ 126.016670 114.7
[M+HCOO]- 188.017611 141.6
[M+CH3COO]- 202.033261 173.3
[M+Na-2H]- 163.994076 126.9
[M]+ 143.01886142 116.8
[M]- 143.01995858 116.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe