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

24435
Patents

325.0445 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.05178 169.2
[M+Na]+ 348.03372 183.1
[M-H]- 324.03722 171.2
[M+NH4]+ 343.07832 181.6
[M+K]+ 364.00766 176.5
[M+H-H2O]+ 308.04176 159.3
[M+HCOO]- 370.04270 184.0
[M+CH3COO]- 384.05835 180.6
[M+Na-2H]- 346.01917 174.0
[M]+ 325.04395 172.8
[M]- 325.04505 172.8
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