CID 9862076

Cyazofamid

Structural Information

Molecular Formula

C₁₃H₁₃ClN₄O₂S

SMILES

CC1=CC=C(C=C1)C2=C(N=C(N2S(=O)(=O)N(C)C)C#N)Cl

InChI

InChI=1S/C13H13ClN4O2S/c1-9-4-6-10(7-5-9)12-13(14)16-11(8-15)18(12)21(19,20)17(2)3/h4-7H,1-3H3

InChIKey

YXKMMRDKEKCERS-UHFFFAOYSA-N

Compound name

4-chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)imidazole-1-sulfonamide

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 28
References: 29489
Patents: 324.04477 Da
Monoisotopic Mass: 2.6
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]+	325.05205	179.5
[M+Na]+	347.03399	192.0
[M-H]-	323.03749	185.0
[M+NH4]+	342.07859	193.2
[M+K]+	363.00793	187.3
[M+H-H2O]+	307.04203	165.4
[M+HCOO]-	369.04297	189.7
[M+CH3COO]-	383.05862	217.9
[M+Na-2H]-	345.01944	179.0
[M]+	324.04422	180.7
[M]-	324.04532	180.7

Literature stripe

literature stripe

Patent stripe

patents stripe