CID 15959026

Schembl12229882

Structural Information

Molecular Formula
C16H12Cl2FN2O3P
SMILES
COP(=O)(C1=CC(=CC(=C1)F)Cl)C2=C(NC3=C2C=C(C=C3)Cl)C(=O)N
InChI
InChI=1S/C16H12Cl2FN2O3P/c1-24-25(23,11-5-9(18)4-10(19)7-11)15-12-6-8(17)2-3-13(12)21-14(15)16(20)22/h2-7,21H,1H3,(H2,20,22)
InChIKey
XOCZSODLYSEXCJ-UHFFFAOYSA-N
Compound name
5-chloro-3-[(3-chloro-5-fluorophenyl)-methoxyphosphoryl]-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

399.99466 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.00194 184.8
[M+Na]+ 422.98388 196.5
[M-H]- 398.98738 188.1
[M+NH4]+ 418.02848 198.6
[M+K]+ 438.95782 189.1
[M+H-H2O]+ 382.99192 175.9
[M+HCOO]- 444.99286 200.5
[M+CH3COO]- 459.00851 219.0
[M+Na-2H]- 420.96933 183.3
[M]+ 399.99411 189.7
[M]- 399.99521 189.7
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