CID 15958982

Chembl3781961

Structural Information

Molecular Formula
C16H12Cl3N2O3P
SMILES
COP(=O)(C1=CC(=CC(=C1)Cl)Cl)C2=C(NC3=C2C=C(C=C3)Cl)C(=O)N
InChI
InChI=1S/C16H12Cl3N2O3P/c1-24-25(23,11-5-9(18)4-10(19)6-11)15-12-7-8(17)2-3-13(12)21-14(15)16(20)22/h2-7,21H,1H3,(H2,20,22)
InChIKey
ZWVIQLFWWQUBCB-UHFFFAOYSA-N
Compound name
5-chloro-3-[(3,5-dichlorophenyl)-methoxyphosphoryl]-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

415.96512 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.97240 187.3
[M+Na]+ 438.95434 198.9
[M-H]- 414.95784 190.9
[M+NH4]+ 433.99894 200.7
[M+K]+ 454.92828 191.6
[M+H-H2O]+ 398.96238 179.9
[M+HCOO]- 460.96332 198.5
[M+CH3COO]- 474.97897 220.8
[M+Na-2H]- 436.93979 185.6
[M]+ 415.96457 193.5
[M]- 415.96567 193.5
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