CID 15958956

Chembl3780345

Structural Information

Molecular Formula
C17H15ClFN2O3P
SMILES
CC1=CC(=CC(=C1)P(=O)(C2=C(NC3=C2C=C(C=C3)Cl)C(=O)N)OC)F
InChI
InChI=1S/C17H15ClFN2O3P/c1-9-5-11(19)8-12(6-9)25(23,24-2)16-13-7-10(18)3-4-14(13)21-15(16)17(20)22/h3-8,21H,1-2H3,(H2,20,22)
InChIKey
VURBZLFNLWYOEG-UHFFFAOYSA-N
Compound name
5-chloro-3-[(3-fluoro-5-methylphenyl)-methoxyphosphoryl]-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

380.0493 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.05658 185.3
[M+Na]+ 403.03852 196.0
[M-H]- 379.04202 188.9
[M+NH4]+ 398.08312 199.3
[M+K]+ 419.01246 189.6
[M+H-H2O]+ 363.04656 175.5
[M+HCOO]- 425.04750 205.6
[M+CH3COO]- 439.06315 217.9
[M+Na-2H]- 401.02397 183.7
[M]+ 380.04875 189.1
[M]- 380.04985 189.1
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

No patent data available for this compound.