CID 16004663

Triafamone

Structural Information

Molecular Formula
C14H13F3N4O5S
SMILES
CN(C1=C(C=CC=C1F)C(=O)C2=NC(=NC(=N2)OC)OC)S(=O)(=O)C(F)F
InChI
InChI=1S/C14H13F3N4O5S/c1-21(27(23,24)12(16)17)9-7(5-4-6-8(9)15)10(22)11-18-13(25-2)20-14(19-11)26-3/h4-6,12H,1-3H3
InChIKey
GBHVIWKSEHWFDD-UHFFFAOYSA-N
Compound name
N-[2-(4,6-dimethoxy-1,3,5-triazine-2-carbonyl)-6-fluorophenyl]-1,1-difluoro-N-methylmethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6016
Patents

406.05588 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.06316 183.8
[M+Na]+ 429.04510 192.8
[M-H]- 405.04860 184.9
[M+NH4]+ 424.08970 190.9
[M+K]+ 445.01904 189.9
[M+H-H2O]+ 389.05314 171.7
[M+HCOO]- 451.05408 195.1
[M+CH3COO]- 465.06973 225.1
[M+Na-2H]- 427.03055 184.2
[M]+ 406.05533 188.4
[M]- 406.05643 188.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe