CID 9167280

2,2,2-trifluoroethyl n-methylcarbamate

Structural Information

Molecular Formula

C₄H₆F₃NO₂

SMILES

CNC(=O)OCC(F)(F)F

InChI

InChI=1S/C4H6F3NO2/c1-8-3(9)10-2-4(5,6)7/h2H2,1H3,(H,8,9)

InChIKey

SMYIKNCXRMTISP-UHFFFAOYSA-N

Compound name

2,2,2-trifluoroethyl N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 157.03506 Da
Monoisotopic Mass: 1.1
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]+	158.04234	126.0
[M+Na]+	180.02428	133.9
[M-H]-	156.02778	122.8
[M+NH4]+	175.06888	146.7
[M+K]+	195.99822	134.1
[M+H-H2O]+	140.03232	119.1
[M+HCOO]-	202.03326	146.4
[M+CH3COO]-	216.04891	176.3
[M+Na-2H]-	178.00973	132.0
[M]+	157.03451	122.7
[M]-	157.03561	122.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe