CID 6338256

3-(trifluoroacetyl)-1-methylpyridinium 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/c1-13-4-2-3-6(5-13)7(12-14)8(9,10)11/h2-5H,1H3/p+1/b12-7-
InChIKey
UMAPGAKJKOVVEC-GHXNOFRVSA-O
Compound name
(NZ)-N-[2,2,2-trifluoro-1-(1-methylpyridin-1-ium-3-yl)ethylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.05887 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.06615 137.3
[M+Na]+ 228.04809 145.9
[M-H]- 204.05159 136.5
[M+NH4]+ 223.09269 154.6
[M+K]+ 244.02203 138.1
[M+H-H2O]+ 188.05613 131.4
[M+HCOO]- 250.05707 156.4
[M+CH3COO]- 264.07272 179.1
[M+Na-2H]- 226.03354 146.0
[M]+ 205.05832 131.6
[M]- 205.05942 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.