CID 198596

N-cyclopropyl-n'-(2,5-difluorophenyl)urea

Structural Information

Molecular Formula

C₁₀H₁₀F₂N₂O

SMILES

C1CC1NC(=O)NC2=C(C=CC(=C2)F)F

InChI

InChI=1S/C10H10F2N2O/c11-6-1-4-8(12)9(5-6)14-10(15)13-7-2-3-7/h1,4-5,7H,2-3H2,(H2,13,14,15)

InChIKey

YNHCORPJRLQDMA-UHFFFAOYSA-N

Compound name

1-cyclopropyl-3-(2,5-difluorophenyl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 212.07613 Da
Monoisotopic Mass: 1.8
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]+	213.083406	136.0
[M+Na]+	235.065348	145.2
[M-H]-	211.068854	141.4
[M+NH4]+	230.109953	149.6
[M+K]+	251.039288	141.1
[M+H-H2O]+	195.073390	127.6
[M+HCOO]-	257.074331	160.2
[M+CH3COO]-	271.089981	193.9
[M+Na-2H]-	233.050796	141.5
[M]+	212.07558142	134.7
[M]-	212.07667858	134.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe