CID 41035

Isonicotinamide, n-(3-difluoromethoxyphenyl)-, hydrochloride

Structural Information

Molecular Formula
C13H10F2N2O2
SMILES
C1=CC(=CC(=C1)OC(F)F)NC(=O)C2=CC=NC=C2
InChI
InChI=1S/C13H10F2N2O2/c14-13(15)19-11-3-1-2-10(8-11)17-12(18)9-4-6-16-7-5-9/h1-8,13H,(H,17,18)
InChIKey
IPZBNWSQQJINHG-UHFFFAOYSA-N
Compound name
N-[3-(difluoromethoxy)phenyl]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.07104 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.078316 155.1
[M+Na]+ 287.060258 161.9
[M-H]- 263.063764 157.7
[M+NH4]+ 282.104863 169.3
[M+K]+ 303.034198 158.5
[M+H-H2O]+ 247.068300 144.6
[M+HCOO]- 309.069241 176.0
[M+CH3COO]- 323.084891 197.4
[M+Na-2H]- 285.045706 159.9
[M]+ 264.07049142 152.6
[M]- 264.07158858 152.6
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.