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]+ 200.08930 139.6
[M+Na]+ 222.07124 146.9
[M-H]- 198.07474 136.3
[M+NH4]+ 217.11584 158.9
[M+K]+ 238.04518 146.8
[M+H-H2O]+ 182.07928 133.0
[M+HCOO]- 244.08022 157.6
[M+CH3COO]- 258.09587 185.2
[M+Na-2H]- 220.05669 145.0
[M]+ 199.08147 136.9
[M]- 199.08257 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