CID 15322721

2,2,2-trifluoroethyl n-tert-butylcarbamate

Structural Information

Molecular Formula
C7H12F3NO2
SMILES
CC(C)(C)NC(=O)OCC(F)(F)F
InChI
InChI=1S/C7H12F3NO2/c1-6(2,3)11-5(12)13-4-7(8,9)10/h4H2,1-3H3,(H,11,12)
InChIKey
QGWDNKBUZREYMF-UHFFFAOYSA-N
Compound name
2,2,2-trifluoroethyl N-tert-butylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

199.08202 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.089296 139.6
[M+Na]+ 222.071238 146.9
[M-H]- 198.074744 136.3
[M+NH4]+ 217.115843 158.9
[M+K]+ 238.045178 146.8
[M+H-H2O]+ 182.079280 133.0
[M+HCOO]- 244.080221 157.6
[M+CH3COO]- 258.095871 185.2
[M+Na-2H]- 220.056686 145.0
[M]+ 199.08147142 136.9
[M]- 199.08256858 136.9
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