CID 15958944

Chembl3779964

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
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

literature stripe

Patent stripe

patents stripe