CID 10040437

138271-16-6

Structural Information

Molecular Formula

C₁₂H₁₄F₂N₂O

SMILES

C1CNCCC1/C(=N/O)/C2=C(C=C(C=C2)F)F

InChI

InChI=1S/C12H14F2N2O/c13-9-1-2-10(11(14)7-9)12(16-17)8-3-5-15-6-4-8/h1-2,7-8,15,17H,3-6H2/b16-12-

InChIKey

DAQWROFRHWHKFE-VBKFSLOCSA-N

Compound name

(NZ)-N-[(2,4-difluorophenyl)-piperidin-4-ylmethylidene]hydroxylamine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 94
Patents: 240.10742 Da
Monoisotopic Mass: 2.1
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]+	241.114696	152.1
[M+Na]+	263.096638	157.3
[M-H]-	239.100144	152.8
[M+NH4]+	258.141243	167.0
[M+K]+	279.070578	152.8
[M+H-H2O]+	223.104680	142.5
[M+HCOO]-	285.105621	168.3
[M+CH3COO]-	299.121271	191.1
[M+Na-2H]-	261.082086	154.4
[M]+	240.10687142	142.7
[M]-	240.10796858	142.7

Literature stripe

literature stripe

Patent stripe

patents stripe