CID 2777759

386704-16-1

Structural Information

Molecular Formula
C7H6F3N3O
SMILES
C1=CC(=NC=C1C(=NO)N)C(F)(F)F
InChI
InChI=1S/C7H6F3N3O/c8-7(9,10)5-2-1-4(3-12-5)6(11)13-14/h1-3,14H,(H2,11,13)
InChIKey
VGHPKSQSZUDQBX-UHFFFAOYSA-N
Compound name
N'-hydroxy-6-(trifluoromethyl)pyridine-3-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

205.0463 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.05358 137.8
[M+Na]+ 228.03552 146.0
[M-H]- 204.03902 136.2
[M+NH4]+ 223.08012 154.7
[M+K]+ 244.00946 143.5
[M+H-H2O]+ 188.04356 128.7
[M+HCOO]- 250.04450 157.8
[M+CH3COO]- 264.06015 187.4
[M+Na-2H]- 226.02097 143.7
[M]+ 205.04575 131.2
[M]- 205.04685 131.2
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

patents stripe