CID 51556

Fomesafen

Structural Information

Molecular Formula
C15H10ClF3N2O6S
SMILES
CS(=O)(=O)NC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]
InChI
InChI=1S/C15H10ClF3N2O6S/c1-28(25,26)20-14(22)10-7-9(3-4-12(10)21(23)24)27-13-5-2-8(6-11(13)16)15(17,18)19/h2-7H,1H3,(H,20,22)
InChIKey
BGZZWXTVIYUUEY-UHFFFAOYSA-N
Compound name
5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-methylsulfonyl-2-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

86
References

32807
Patents

437.99002 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.997296 185.6
[M+Na]+ 460.979238 192.9
[M-H]- 436.982744 188.9
[M+NH4]+ 456.023843 194.8
[M+K]+ 476.953178 183.8
[M+H-H2O]+ 420.987280 181.0
[M+HCOO]- 482.988221 195.9
[M+CH3COO]- 497.003871 216.9
[M+Na-2H]- 458.964686 190.7
[M]+ 437.98947142 186.8
[M]- 437.99056858 186.8
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