CID 15958969

Schembl12229861

Structural Information

Molecular Formula
C16H13Cl2N2O3P
SMILES
COP(=O)(C1=CC(=CC=C1)Cl)C2=C(NC3=C2C=C(C=C3)Cl)C(=O)N
InChI
InChI=1S/C16H13Cl2N2O3P/c1-23-24(22,11-4-2-3-9(17)7-11)15-12-8-10(18)5-6-13(12)20-14(15)16(19)21/h2-8,20H,1H3,(H2,19,21)
InChIKey
KSNSXBZUTGQOML-UHFFFAOYSA-N
Compound name
5-chloro-3-[(3-chlorophenyl)-methoxyphosphoryl]-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

382.0041 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.01138 182.8
[M+Na]+ 404.99332 193.6
[M-H]- 380.99682 187.1
[M+NH4]+ 400.03792 197.1
[M+K]+ 420.96726 186.6
[M+H-H2O]+ 365.00136 174.6
[M+HCOO]- 427.00230 199.5
[M+CH3COO]- 441.01795 215.1
[M+Na-2H]- 402.97877 182.4
[M]+ 382.00355 188.2
[M]- 382.00465 188.2
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

patents stripe