CID 15958959

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

Structural Information

Molecular Formula
C17H12ClF4N2O3P
SMILES
COP(=O)(C1=CC(=CC(=C1)F)C(F)(F)F)C2=C(NC3=C2C=C(C=C3)Cl)C(=O)N
InChI
InChI=1S/C17H12ClF4N2O3P/c1-27-28(26,11-5-8(17(20,21)22)4-10(19)7-11)15-12-6-9(18)2-3-13(12)24-14(15)16(23)25/h2-7,24H,1H3,(H2,23,25)
InChIKey
MINDXKRXKDYPPX-UHFFFAOYSA-N
Compound name
5-chloro-3-[[3-fluoro-5-(trifluoromethyl)phenyl]-methoxyphosphoryl]-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

434.02103 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.02831 193.7
[M+Na]+ 457.01025 205.0
[M-H]- 433.01375 193.7
[M+NH4]+ 452.05485 205.4
[M+K]+ 472.98419 197.9
[M+H-H2O]+ 417.01829 181.7
[M+HCOO]- 479.01923 209.3
[M+CH3COO]- 493.03488 225.8
[M+Na-2H]- 454.99570 192.0
[M]+ 434.02048 193.6
[M]- 434.02158 193.6
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

patents stripe