CID 86369

Sulfentrazone

Structural Information

Molecular Formula
C11H10Cl2F2N4O3S
SMILES
CC1=NN(C(=O)N1C(F)F)C2=C(C=C(C(=C2)NS(=O)(=O)C)Cl)Cl
InChI
InChI=1S/C11H10Cl2F2N4O3S/c1-5-16-19(11(20)18(5)10(14)15)9-4-8(17-23(2,21)22)6(12)3-7(9)13/h3-4,10,17H,1-2H3
InChIKey
OORLZFUTLGXMEF-UHFFFAOYSA-N
Compound name
N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

50
References

27912
Patents

385.98187 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.98915 175.7
[M+Na]+ 408.97109 189.0
[M-H]- 384.97459 177.8
[M+NH4]+ 404.01569 187.6
[M+K]+ 424.94503 182.3
[M+H-H2O]+ 368.97913 167.8
[M+HCOO]- 430.98007 180.5
[M+CH3COO]- 444.99572 215.2
[M+Na-2H]- 406.95654 174.0
[M]+ 385.98132 181.5
[M]- 385.98242 181.5
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