CID 47002264

1221725-57-0

Structural Information

Molecular Formula

C₇H₁₂F₃NO₂

SMILES

CCC(C)NC(=O)OCC(F)(F)F

InChI

InChI=1S/C7H12F3NO2/c1-3-5(2)11-6(12)13-4-7(8,9)10/h5H,3-4H2,1-2H3,(H,11,12)

InChIKey

CCZXUOWSNIENSE-UHFFFAOYSA-N

Compound name

2,2,2-trifluoroethyl N-butan-2-ylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 199.08202 Da
Monoisotopic Mass: 2.4
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	140.3
[M+Na]+	222.07124	146.8
[M-H]-	198.07474	136.6
[M+NH4]+	217.11584	159.3
[M+K]+	238.04518	146.6
[M+H-H2O]+	182.07928	132.9
[M+HCOO]-	244.08022	158.8
[M+CH3COO]-	258.09587	186.3
[M+Na-2H]-	220.05669	143.4
[M]+	199.08147	137.5
[M]-	199.08257	137.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe