CID 135705613

4-pyridyl trifluoromethyl ketone oxime hydrate

Structural Information

Molecular Formula
C7H5F3N2O
SMILES
C1=CN=CC=C1/C(=N/O)/C(F)(F)F
InChI
InChI=1S/C7H5F3N2O/c8-7(9,10)6(12-13)5-1-3-11-4-2-5/h1-4,13H/b12-6-
InChIKey
BFBWHLTXLJYQMT-SDQBBNPISA-N
Compound name
(NZ)-N-(2,2,2-trifluoro-1-pyridin-4-ylethylidene)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.0354 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.04268 133.7
[M+Na]+ 213.02462 141.8
[M-H]- 189.02812 132.3
[M+NH4]+ 208.06922 151.5
[M+K]+ 228.99856 139.7
[M+H-H2O]+ 173.03266 124.8
[M+HCOO]- 235.03360 153.3
[M+CH3COO]- 249.04925 181.9
[M+Na-2H]- 211.01007 141.0
[M]+ 190.03485 128.5
[M]- 190.03595 128.5
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.