CID 2210370

Fph1

Structural Information

Molecular Formula
C16H15ClF2N2O3S
SMILES
CC1=C(C=C(C=C1)Cl)N(CC(=O)NC2=C(C=CC=C2F)F)S(=O)(=O)C
InChI
InChI=1S/C16H15ClF2N2O3S/c1-10-6-7-11(17)8-14(10)21(25(2,23)24)9-15(22)20-16-12(18)4-3-5-13(16)19/h3-8H,9H2,1-2H3,(H,20,22)
InChIKey
WAOBCCBUTHNTFO-UHFFFAOYSA-N
Compound name
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2,6-difluorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

44
Patents

388.046 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.05328 182.2
[M+Na]+ 411.03522 191.1
[M-H]- 387.03872 188.3
[M+NH4]+ 406.07982 195.3
[M+K]+ 427.00916 185.6
[M+H-H2O]+ 371.04326 173.4
[M+HCOO]- 433.04420 195.0
[M+CH3COO]- 447.05985 223.0
[M+Na-2H]- 409.02067 182.5
[M]+ 388.04545 186.6
[M]- 388.04655 186.6
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