CID 60828

Ilonidap

Structural Information

Molecular Formula
C14H8ClFN2O3S
SMILES
C1=CSC(=C1)C(=O)C2=C(N(C3=CC(=C(C=C32)F)Cl)C(=O)N)O
InChI
InChI=1S/C14H8ClFN2O3S/c15-7-5-9-6(4-8(7)16)11(13(20)18(9)14(17)21)12(19)10-2-1-3-22-10/h1-5,20H,(H2,17,21)
InChIKey
SPQNPQCUZPOZJX-UHFFFAOYSA-N
Compound name
6-chloro-5-fluoro-2-hydroxy-3-(thiophene-2-carbonyl)indole-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

3133
Patents

337.99283 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.000106 172.3
[M+Na]+ 360.982048 184.9
[M-H]- 336.985554 178.2
[M+NH4]+ 356.026653 190.2
[M+K]+ 376.955988 178.6
[M+H-H2O]+ 320.990090 167.0
[M+HCOO]- 382.991031 185.5
[M+CH3COO]- 397.006681 184.6
[M+Na-2H]- 358.967496 169.4
[M]+ 337.99228142 177.9
[M]- 337.99337858 177.9
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