CID 15959013

Schembl12230037

Structural Information

Molecular Formula
C23H17ClF3N2O3P
SMILES
COP(=O)(C1=CC(=CC(=C1)F)F)C2=C(NC3=C2C=C(C=C3)Cl)C(=O)NCC4=CC=CC=C4F
InChI
InChI=1S/C23H17ClF3N2O3P/c1-32-33(31,17-10-15(25)9-16(26)11-17)22-18-8-14(24)6-7-20(18)29-21(22)23(30)28-12-13-4-2-3-5-19(13)27/h2-11,29H,12H2,1H3,(H,28,30)
InChIKey
IIJJDDNCJXRIRK-UHFFFAOYSA-N
Compound name
5-chloro-3-[(3,5-difluorophenyl)-methoxyphosphoryl]-N-[(2-fluorophenyl)methyl]-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

492.06174 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.06902 212.2
[M+Na]+ 515.05096 222.3
[M-H]- 491.05446 216.5
[M+NH4]+ 510.09556 221.2
[M+K]+ 531.02490 214.0
[M+H-H2O]+ 475.05900 198.4
[M+HCOO]- 537.05994 229.9
[M+CH3COO]- 551.07559 238.0
[M+Na-2H]- 513.03641 208.7
[M]+ 492.06119 214.6
[M]- 492.06229 214.6
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.