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: 24797
Patents: 359.03 Da
Monoisotopic Mass: 1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	360.037276	174.8
[M+Na]+	382.019218	189.1
[M-H]-	358.022724	175.7
[M+NH4]+	377.063823	185.8
[M+K]+	397.993158	182.7
[M+H-H2O]+	342.027260	164.0
[M+HCOO]-	404.028201	188.6
[M+CH3COO]-	418.043851	212.1
[M+Na-2H]-	380.004666	178.7
[M]+	359.02945142	179.0
[M]-	359.03054858	179.0

Literature stripe

literature stripe

Patent stripe

patents stripe