CID 375239

Nsc654628

Structural Information

Molecular Formula
C23H17Cl4NO3
SMILES
CC(C)(C(=O)NC1=C(C=CC=C1Cl)Cl)OC2=C(C=C(C=C2)C(=O)C3=CC=C(C=C3)Cl)Cl
InChI
InChI=1S/C23H17Cl4NO3/c1-23(2,22(30)28-20-16(25)4-3-5-17(20)26)31-19-11-8-14(12-18(19)27)21(29)13-6-9-15(24)10-7-13/h3-12H,1-2H3,(H,28,30)
InChIKey
LLUOFIFTMAKKFX-UHFFFAOYSA-N
Compound name
2-[2-chloro-4-(4-chlorobenzoyl)phenoxy]-N-(2,6-dichlorophenyl)-2-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

494.99625 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 496.00353 206.9
[M+Na]+ 517.98547 215.2
[M-H]- 493.98897 213.3
[M+NH4]+ 513.03007 215.4
[M+K]+ 533.95941 208.5
[M+H-H2O]+ 477.99351 200.3
[M+HCOO]- 539.99445 207.7
[M+CH3COO]- 554.01010 236.9
[M+Na-2H]- 515.97092 204.9
[M]+ 494.99570 213.1
[M]- 494.99680 213.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.