CID 11240456

2,2,2-trifluoroacetaldehyde oxime

Structural Information

Molecular Formula

SMILES

C(=N/O)\C(F)(F)F

InChI

InChI=1S/C2H2F3NO/c3-2(4,5)1-6-7/h1,7H/b6-1+

InChIKey

AGXIAHLLNDREAE-LZCJLJQNSA-N

Compound name

(NE)-N-(2,2,2-trifluoroethylidene)hydroxylamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 113.00885 Da
Monoisotopic Mass: 1.1
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]+	114.01613	113.2
[M+Na]+	135.99807	122.2
[M-H]-	112.00157	110.3
[M+NH4]+	131.04267	135.7
[M+K]+	151.97201	122.0
[M+H-H2O]+	96.006110	106.9
[M+HCOO]-	158.00705	135.1
[M+CH3COO]-	172.02270	168.1
[M+Na-2H]-	133.98352	121.6
[M]+	113.00830	108.5
[M]-	113.00940	108.5

Literature stripe

literature stripe

Patent stripe

patents stripe