CID 71941062

N-[2-(dimethylamino)pyridin-3-yl]-2,3,4,5-tetrafluorobenzamide

Structural Information

Molecular Formula
C14H11F4N3O
SMILES
CN(C)C1=C(C=CC=N1)NC(=O)C2=CC(=C(C(=C2F)F)F)F
InChI
InChI=1S/C14H11F4N3O/c1-21(2)13-9(4-3-5-19-13)20-14(22)7-6-8(15)11(17)12(18)10(7)16/h3-6H,1-2H3,(H,20,22)
InChIKey
CHZVMNCNMCXNLY-UHFFFAOYSA-N
Compound name
N-[2-(dimethylamino)pyridin-3-yl]-2,3,4,5-tetrafluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.08383 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.09111 167.1
[M+Na]+ 336.07305 177.0
[M-H]- 312.07655 169.7
[M+NH4]+ 331.11765 180.8
[M+K]+ 352.04699 172.8
[M+H-H2O]+ 296.08109 154.9
[M+HCOO]- 358.08203 187.7
[M+CH3COO]- 372.09768 216.2
[M+Na-2H]- 334.05850 167.9
[M]+ 313.08328 164.0
[M]- 313.08438 164.0
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.