CID 135929459

Pyridinium, 1-methyl-2-(trifluoroacetyl)-, chloride, oxime

Structural Information

Molecular Formula
C8H8F3N2O
SMILES
C[N+]1=CC=CC=C1/C(=N/O)/C(F)(F)F
InChI
InChI=1S/C8H7F3N2O/c1-13-5-3-2-4-6(13)7(12-14)8(9,10)11/h2-5H,1H3/p+1
InChIKey
MOAOPZCHVXYNIM-UHFFFAOYSA-O
Compound name
(NZ)-N-[2,2,2-trifluoro-1-(1-methylpyridin-1-ium-2-yl)ethylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.05887 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.066146 137.3
[M+Na]+ 228.048088 145.9
[M-H]- 204.051594 136.5
[M+NH4]+ 223.092693 154.6
[M+K]+ 244.022028 138.1
[M+H-H2O]+ 188.056130 131.4
[M+HCOO]- 250.057071 156.4
[M+CH3COO]- 264.072721 179.1
[M+Na-2H]- 226.033536 146.0
[M]+ 205.05832142 131.6
[M]- 205.05941858 131.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.