CID 188740

Methanesulfonamide, n-(2,4-difluorophenyl)-n-(3-pyridinylmethyl)-

Structural Information

Molecular Formula
C13H12F2N2O2S
SMILES
CS(=O)(=O)N(CC1=CN=CC=C1)C2=C(C=C(C=C2)F)F
InChI
InChI=1S/C13H12F2N2O2S/c1-20(18,19)17(9-10-3-2-6-16-8-10)13-5-4-11(14)7-12(13)15/h2-8H,9H2,1H3
InChIKey
UPAMTXZAAYPTKS-UHFFFAOYSA-N
Compound name
N-(2,4-difluorophenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

298.05875 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.06603 161.8
[M+Na]+ 321.04797 171.0
[M-H]- 297.05147 166.4
[M+NH4]+ 316.09257 176.5
[M+K]+ 337.02191 166.7
[M+H-H2O]+ 281.05601 151.8
[M+HCOO]- 343.05695 178.6
[M+CH3COO]- 357.07260 204.2
[M+Na-2H]- 319.03342 165.4
[M]+ 298.05820 163.3
[M]- 298.05930 163.3
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