CID 2777765

175204-85-0

Structural Information

Molecular Formula

C₇H₆F₃N₃O

SMILES

C1=CN=CC(=C1C(F)(F)F)C(=NO)N

InChI

InChI=1S/C7H6F3N3O/c8-7(9,10)5-1-2-12-3-4(5)6(11)13-14/h1-3,14H,(H2,11,13)

InChIKey

TWNDDLQXEIPJNK-UHFFFAOYSA-N

Compound name

N'-hydroxy-4-(trifluoromethyl)pyridine-3-carboximidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 12
Patents: 205.0463 Da
Monoisotopic Mass: 0.9
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]+	206.05358	137.8
[M+Na]+	228.03552	146.0
[M-H]-	204.03902	136.2
[M+NH4]+	223.08012	154.7
[M+K]+	244.00946	143.5
[M+H-H2O]+	188.04356	128.7
[M+HCOO]-	250.04450	157.8
[M+CH3COO]-	264.06015	187.4
[M+Na-2H]-	226.02097	143.7
[M]+	205.04575	131.2
[M]-	205.04685	131.2

Literature stripe

literature stripe

Patent stripe

patents stripe