CID 103437

65686-85-3

Structural Information

Molecular Formula

C₈H₅ClF₃NO

SMILES

C1=CC(=CC=C1C(=NO)C(F)(F)F)Cl

InChI

InChI=1S/C8H5ClF3NO/c9-6-3-1-5(2-4-6)7(13-14)8(10,11)12/h1-4,14H

InChIKey

DHFHLGPVGBSNLI-UHFFFAOYSA-N

Compound name

N-[1-(4-chlorophenyl)-2,2,2-trifluoroethylidene]hydroxylamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 26
Patents: 223.00117 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]+	224.00845	138.7
[M+Na]+	245.99039	148.2
[M-H]-	221.99389	138.8
[M+NH4]+	241.03499	157.7
[M+K]+	261.96433	143.9
[M+H-H2O]+	205.99843	131.6
[M+HCOO]-	267.99937	154.8
[M+CH3COO]-	282.01502	187.3
[M+Na-2H]-	243.97584	144.3
[M]+	223.00062	135.9
[M]-	223.00172	135.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe