CID 2779224

82971-90-2

Structural Information

Molecular Formula

C₈H₇F₃N₂O₂

SMILES

C1=CC(=CC=C1NC(=O)N)OC(F)(F)F

InChI

InChI=1S/C8H7F3N2O2/c9-8(10,11)15-6-3-1-5(2-4-6)13-7(12)14/h1-4H,(H3,12,13,14)

InChIKey

LOSFVIMHTOMZKT-UHFFFAOYSA-N

Compound name

[4-(trifluoromethoxy)phenyl]urea

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 1
References: 137
Patents: 220.04596 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]+	221.05324	140.8
[M+Na]+	243.03518	148.4
[M-H]-	219.03868	140.4
[M+NH4]+	238.07978	158.2
[M+K]+	259.00912	146.4
[M+H-H2O]+	203.04322	132.2
[M+HCOO]-	265.04416	162.0
[M+CH3COO]-	279.05981	189.9
[M+Na-2H]-	241.02063	146.0
[M]+	220.04541	135.4
[M]-	220.04651	135.4

Literature stripe

literature stripe

Patent stripe

patents stripe