CID 10040437

691007-05-3

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

1
Annotation Hits: 0
References: 59
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]+	241.11470	154.4
[M+Na]+	263.09664	163.6
[M+NH4]+	258.14124	160.6
[M+K]+	279.07058	157.7
[M-H]-	239.10014	154.7
[M+Na-2H]-	261.08209	159.3
[M]+	240.10687	155.3
[M]-	240.10797	155.3

Literature stripe

literature stripe

Patent stripe

patents stripe