CID 15958967

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

Structural Information

Molecular Formula
C16H12ClF2N2O3P
SMILES
COP(=O)(C1=C(C=CC(=C1)F)F)C2=C(NC3=C2C=C(C=C3)Cl)C(=O)N
InChI
InChI=1S/C16H12ClF2N2O3P/c1-24-25(23,13-7-9(18)3-4-11(13)19)15-10-6-8(17)2-5-12(10)21-14(15)16(20)22/h2-7,21H,1H3,(H2,20,22)
InChIKey
MFISHSOBSYREAZ-UHFFFAOYSA-N
Compound name
5-chloro-3-[(2,5-difluorophenyl)-methoxyphosphoryl]-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.0242 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.03148 182.8
[M+Na]+ 407.01342 194.1
[M-H]- 383.01692 185.2
[M+NH4]+ 402.05802 196.6
[M+K]+ 422.98736 187.3
[M+H-H2O]+ 367.02146 172.2
[M+HCOO]- 429.02240 202.5
[M+CH3COO]- 443.03805 217.6
[M+Na-2H]- 404.99887 181.2
[M]+ 384.02365 185.3
[M]- 384.02475 185.3
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.