CID 251521

(2,2,2-trifluoroethyl)urea

Structural Information

Molecular Formula

C₃H₅F₃N₂O

SMILES

C(C(F)(F)F)NC(=O)N

InChI

InChI=1S/C3H5F3N2O/c4-3(5,6)1-8-2(7)9/h1H2,(H3,7,8,9)

InChIKey

KBHCMKXZLFVXRD-UHFFFAOYSA-N

Compound name

2,2,2-trifluoroethylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 240
Patents: 142.0354 Da
Monoisotopic Mass: 0.1
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]+	143.04268	122.4
[M+Na]+	165.02462	129.8
[M-H]-	141.02812	118.7
[M+NH4]+	160.06922	143.0
[M+K]+	180.99856	129.3
[M+H-H2O]+	125.03266	115.3
[M+HCOO]-	187.03360	143.2
[M+CH3COO]-	201.04925	176.2
[M+Na-2H]-	163.01007	128.0
[M]+	142.03485	115.5
[M]-	142.03595	115.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe