CID 15958999

Schembl12229869

Structural Information

Molecular Formula
C17H15ClFN2O3P
SMILES
COP(=O)(C1=CC=CC(=C1)CF)C2=C(NC3=C2C=C(C=C3)Cl)C(=O)N
InChI
InChI=1S/C17H15ClFN2O3P/c1-24-25(23,12-4-2-3-10(7-12)9-19)16-13-8-11(18)5-6-14(13)21-15(16)17(20)22/h2-8,21H,9H2,1H3,(H2,20,22)
InChIKey
AWCRSJKJZPMLAT-UHFFFAOYSA-N
Compound name
5-chloro-3-[[3-(fluoromethyl)phenyl]-methoxyphosphoryl]-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

380.0493 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.05658 185.1
[M+Na]+ 403.03852 195.0
[M-H]- 379.04202 188.3
[M+NH4]+ 398.08312 198.8
[M+K]+ 419.01246 188.4
[M+H-H2O]+ 363.04656 175.0
[M+HCOO]- 425.04750 205.5
[M+CH3COO]- 439.06315 216.6
[M+Na-2H]- 401.02397 184.1
[M]+ 380.04875 188.5
[M]- 380.04985 188.5
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