CID 15959047

Schembl12229872

Structural Information

Molecular Formula
C16H12BrClFN2O3P
SMILES
COP(=O)(C1=CC(=CC(=C1)F)Br)C2=C(NC3=C2C=C(C=C3)Cl)C(=O)N
InChI
InChI=1S/C16H12BrClFN2O3P/c1-24-25(23,11-5-8(17)4-10(19)7-11)15-12-6-9(18)2-3-13(12)21-14(15)16(20)22/h2-7,21H,1H3,(H2,20,22)
InChIKey
AXYUTPKTGDIIIE-UHFFFAOYSA-N
Compound name
3-[(3-bromo-5-fluorophenyl)-methoxyphosphoryl]-5-chloro-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

443.94415 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.95143 199.2
[M+Na]+ 466.93337 212.7
[M-H]- 442.93687 205.2
[M+NH4]+ 461.97797 214.3
[M+K]+ 482.90731 198.3
[M+H-H2O]+ 426.94141 195.3
[M+HCOO]- 488.94235 216.9
[M+CH3COO]- 502.95800 222.5
[M+Na-2H]- 464.91882 198.3
[M]+ 443.94360 220.4
[M]- 443.94470 220.4
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