CID 14698709

57666-46-3

Structural Information

Molecular Formula

C₁₂H₈F₃NO₂

SMILES

C1=CC(=CC(=C1)C(F)(F)F)C2=CC=C(O2)/C=N/O

InChI

InChI=1S/C12H8F3NO2/c13-12(14,15)9-3-1-2-8(6-9)11-5-4-10(18-11)7-16-17/h1-7,17H/b16-7+

InChIKey

MAOLWMOVMYZMQJ-FRKPEAEDSA-N

Compound name

(NE)-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]hydroxylamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 255.05072 Da
Monoisotopic Mass: 3.6
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]+	256.057996	150.2
[M+Na]+	278.039938	159.7
[M-H]-	254.043444	154.5
[M+NH4]+	273.084543	167.6
[M+K]+	294.013878	156.9
[M+H-H2O]+	238.047980	141.5
[M+HCOO]-	300.048921	172.1
[M+CH3COO]-	314.064571	193.5
[M+Na-2H]-	276.025386	155.8
[M]+	255.05017142	148.2
[M]-	255.05126858	148.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.