CID 9581576

22179-86-8

Structural Information

Molecular Formula

C₈H₇F₃N₂O

SMILES

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

InChI

InChI=1S/C8H7F3N2O/c9-8(10,11)6-3-1-5(2-4-6)7(12)13-14/h1-4,14H,(H2,12,13)

InChIKey

QCVFLUSIBKAKPC-UHFFFAOYSA-N

Compound name

N'-hydroxy-4-(trifluoromethyl)benzenecarboximidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 47
Patents: 204.05104 Da
Monoisotopic Mass: 2.0
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]+	205.05832	137.9
[M+Na]+	227.04026	145.7
[M-H]-	203.04376	137.6
[M+NH4]+	222.08486	156.1
[M+K]+	243.01420	143.1
[M+H-H2O]+	187.04830	129.6
[M+HCOO]-	249.04924	158.9
[M+CH3COO]-	263.06489	187.8
[M+Na-2H]-	225.02571	143.1
[M]+	204.05049	131.1
[M]-	204.05159	131.1

Literature stripe

literature stripe

Patent stripe

patents stripe