CID 53831228

[2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]urea

Structural Information

Molecular Formula

C₁₀H₆Cl₂F₆N₂O₂

SMILES

C1=C(C(=CC(=C1Cl)OC(C(C(F)(F)F)F)(F)F)Cl)NC(=O)N

InChI

InChI=1S/C10H6Cl2F6N2O2/c11-3-2-6(4(12)1-5(3)20-8(19)21)22-10(17,18)7(13)9(14,15)16/h1-2,7H,(H3,19,20,21)

InChIKey

GCOYQBALNHRFMV-UHFFFAOYSA-N

Compound name

[2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]urea

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 2
Patents: 369.97104 Da
Monoisotopic Mass: 4.2
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]+	370.978316	165.1
[M+Na]+	392.960258	175.2
[M-H]-	368.963764	160.9
[M+NH4]+	388.004863	178.3
[M+K]+	408.934198	169.2
[M+H-H2O]+	352.968300	156.4
[M+HCOO]-	414.969241	170.8
[M+CH3COO]-	428.984891	216.1
[M+Na-2H]-	390.945706	165.4
[M]+	369.97049142	160.2
[M]-	369.97158858	160.2

Literature stripe

literature stripe

Patent stripe

patents stripe