CID 91759

Flumetsulam

Structural Information

Molecular Formula

C₁₂H₉F₂N₅O₂S

SMILES

CC1=NC2=NC(=NN2C=C1)S(=O)(=O)NC3=C(C=CC=C3F)F

InChI

InChI=1S/C12H9F2N5O2S/c1-7-5-6-19-11(15-7)16-12(17-19)22(20,21)18-10-8(13)3-2-4-9(10)14/h2-6,18H,1H3

InChIKey

RXCPQSJAVKGONC-UHFFFAOYSA-N

Compound name

N-(2,6-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 24
References: 27408
Patents: 325.0445 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]+	326.051776	169.2
[M+Na]+	348.033718	183.1
[M-H]-	324.037224	171.2
[M+NH4]+	343.078323	181.6
[M+K]+	364.007658	176.5
[M+H-H2O]+	308.041760	159.3
[M+HCOO]-	370.042701	184.0
[M+CH3COO]-	384.058351	180.6
[M+Na-2H]-	346.019166	174.0
[M]+	325.04395142	172.8
[M]-	325.04504858	172.8

Literature stripe

literature stripe

Patent stripe

patents stripe