CID 15958940

Schembl12229851

Structural Information

Molecular Formula
C17H14ClF2N2O3P
SMILES
CCOP(=O)(C1=CC(=CC(=C1)F)F)C2=C(NC3=C2C=C(C=C3)Cl)C(=O)N
InChI
InChI=1S/C17H14ClF2N2O3P/c1-2-25-26(24,12-7-10(19)6-11(20)8-12)16-13-5-9(18)3-4-14(13)22-15(16)17(21)23/h3-8,22H,2H2,1H3,(H2,21,23)
InChIKey
KXPLZVSROGMWRR-UHFFFAOYSA-N
Compound name
5-chloro-3-[(3,5-difluorophenyl)-ethoxyphosphoryl]-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

398.03986 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.04714 187.6
[M+Na]+ 421.02908 198.4
[M-H]- 397.03258 189.9
[M+NH4]+ 416.07368 200.8
[M+K]+ 437.00302 191.5
[M+H-H2O]+ 381.03712 176.8
[M+HCOO]- 443.03806 206.9
[M+CH3COO]- 457.05371 220.6
[M+Na-2H]- 419.01453 185.5
[M]+ 398.03931 190.4
[M]- 398.04041 190.4
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

patents stripe