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: 6
Patents: 199.08202 Da
Monoisotopic Mass: 2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	200.08930	146.6
[M+Na]+	222.07124	151.8
[M+NH4]+	217.11584	150.5
[M+K]+	238.04518	149.1
[M-H]-	198.07474	140.2
[M+Na-2H]-	220.05669	146.9
[M]+	199.08147	145.0
[M]-	199.08257	145.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe