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
6
Annotation Hits

25
References

21108
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 173.5
[M+Na]+ 382.01922 183.7
[M+NH4]+ 377.06382 176.5
[M+K]+ 397.99316 179.8
[M-H]- 358.02272 170.2
[M+Na-2H]- 380.00467 177.5
[M]+ 359.02945 174.0
[M]- 359.03055 174.0
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