CID 20495308

(2,2,2-trifluoroethoxy)carbohydrazide hydrochloride

Structural Information

Molecular Formula

C₃H₅F₃N₂O₂

SMILES

C(C(F)(F)F)OC(=O)NN

InChI

InChI=1S/C3H5F3N2O2/c4-3(5,6)1-10-2(9)8-7/h1,7H2,(H,8,9)

InChIKey

HLYNAMTWKPYPGI-UHFFFAOYSA-N

Compound name

2,2,2-trifluoroethyl N-aminocarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 158.03032 Da
Monoisotopic Mass: 0.3
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]+	159.03760	125.2
[M+Na]+	181.01954	132.6
[M-H]-	157.02304	121.5
[M+NH4]+	176.06414	145.1
[M+K]+	196.99348	132.6
[M+H-H2O]+	141.02758	117.9
[M+HCOO]-	203.02852	146.3
[M+CH3COO]-	217.04417	177.6
[M+Na-2H]-	179.00499	130.8
[M]+	158.02977	119.6
[M]-	158.03087	119.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe