CID 136338231

1-[(difluoromethyl)sulfonyl]-3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-7-fluoro-1h-indol-2-ol

Structural Information

Molecular Formula
C14H11F3N4O5S
SMILES
COC1=NC(=NC(=N1)C2=C(N(C3=C2C=CC=C3F)S(=O)(=O)C(F)F)O)OC
InChI
InChI=1S/C14H11F3N4O5S/c1-25-13-18-10(19-14(20-13)26-2)8-6-4-3-5-7(15)9(6)21(11(8)22)27(23,24)12(16)17/h3-5,12,22H,1-2H3
InChIKey
HHKJGYRGHDZKKW-UHFFFAOYSA-N
Compound name
1-(difluoromethylsulfonyl)-3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-7-fluoroindol-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

404.04022 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.04750 188.0
[M+Na]+ 427.02944 197.4
[M+NH4]+ 422.07404 189.5
[M+K]+ 443.00338 194.7
[M-H]- 403.03294 183.0
[M+Na-2H]- 425.01489 189.7
[M]+ 404.03967 187.8
[M]- 404.04077 187.8
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