CID 16760696

Ldn-57444

Structural Information

Molecular Formula
C17H11Cl3N2O3
SMILES
CC(=O)O/N=C\1/C2=C(C=CC(=C2)Cl)N(C1=O)CC3=C(C=CC(=C3)Cl)Cl
InChI
InChI=1S/C17H11Cl3N2O3/c1-9(23)25-21-16-13-7-12(19)3-5-15(13)22(17(16)24)8-10-6-11(18)2-4-14(10)20/h2-7H,8H2,1H3/b21-16-
InChIKey
OPQRFPHLZZPCCH-PGMHBOJBSA-N
Compound name
[(Z)-[5-chloro-1-[(2,5-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

29
References

1008
Patents

395.98352 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.99080 188.0
[M+Na]+ 418.97274 199.8
[M-H]- 394.97624 194.5
[M+NH4]+ 414.01734 203.1
[M+K]+ 434.94668 192.9
[M+H-H2O]+ 378.98078 181.7
[M+HCOO]- 440.98172 196.4
[M+CH3COO]- 454.99737 221.4
[M+Na-2H]- 416.95819 187.0
[M]+ 395.98297 195.2
[M]- 395.98407 195.3
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