CID 15958958

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

Structural Information

Molecular Formula
C18H12ClF6N2O3P
SMILES
COP(=O)(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C2=C(NC3=C2C=C(C=C3)Cl)C(=O)N
InChI
InChI=1S/C18H12ClF6N2O3P/c1-30-31(29,11-5-8(17(20,21)22)4-9(6-11)18(23,24)25)15-12-7-10(19)2-3-13(12)27-14(15)16(26)28/h2-7,27H,1H3,(H2,26,28)
InChIKey
HRWGWXYHABIRQD-UHFFFAOYSA-N
Compound name
3-[[3,5-bis(trifluoromethyl)phenyl]-methoxyphosphoryl]-5-chloro-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

484.01782 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.02510 204.3
[M+Na]+ 507.00704 215.6
[M-H]- 483.01054 202.0
[M+NH4]+ 502.05164 214.0
[M+K]+ 522.98098 208.2
[M+H-H2O]+ 467.01508 191.0
[M+HCOO]- 529.01602 215.7
[M+CH3COO]- 543.03167 233.8
[M+Na-2H]- 504.99249 202.6
[M]+ 484.01727 201.5
[M]- 484.01837 201.5
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