CID 15958968

5-chloro-3-[(2-fluorophenyl)-methoxy-phosphoryl]-1h-indole-2-carboxamide

Structural Information

Molecular Formula
C16H13ClFN2O3P
SMILES
COP(=O)(C1=CC=CC=C1F)C2=C(NC3=C2C=C(C=C3)Cl)C(=O)N
InChI
InChI=1S/C16H13ClFN2O3P/c1-23-24(22,13-5-3-2-4-11(13)18)15-10-8-9(17)6-7-12(10)20-14(15)16(19)21/h2-8,20H,1H3,(H2,19,21)
InChIKey
LVARWJLQIDJIFT-UHFFFAOYSA-N
Compound name
5-chloro-3-[(2-fluorophenyl)-methoxyphosphoryl]-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.03363 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.04091 180.3
[M+Na]+ 389.02285 190.7
[M-H]- 365.02635 183.8
[M+NH4]+ 384.06745 194.6
[M+K]+ 404.99679 184.3
[M+H-H2O]+ 349.03089 170.4
[M+HCOO]- 411.03183 201.1
[M+CH3COO]- 425.04748 213.7
[M+Na-2H]- 387.00830 179.9
[M]+ 366.03308 183.4
[M]- 366.03418 183.4
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.