CID 11700495

Florasulam

Structural Information

Molecular Formula
C12H8F3N5O3S
SMILES
COC1=NC=C(C2=NC(=NN21)S(=O)(=O)NC3=C(C=CC=C3F)F)F
InChI
InChI=1S/C12H8F3N5O3S/c1-23-12-16-5-8(15)10-17-11(18-20(10)12)24(21,22)19-9-6(13)3-2-4-7(9)14/h2-5,19H,1H3
InChIKey
QZXATCCPQKOEIH-UHFFFAOYSA-N
Compound name
N-(2,6-difluorophenyl)-8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

25
References

24600
Patents

359.03 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.03728 174.8
[M+Na]+ 382.01922 189.1
[M-H]- 358.02272 175.7
[M+NH4]+ 377.06382 185.8
[M+K]+ 397.99316 182.7
[M+H-H2O]+ 342.02726 164.0
[M+HCOO]- 404.02820 188.6
[M+CH3COO]- 418.04385 212.1
[M+Na-2H]- 380.00467 178.7
[M]+ 359.02945 179.0
[M]- 359.03055 179.0
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.