CID 15958936

Chembl1650745

Structural Information

Molecular Formula
C15H12ClN2O3P
SMILES
C1=CC=C(C=C1)P(=O)(C2=C(NC3=C2C=C(C=C3)Cl)C(=O)N)O
InChI
InChI=1S/C15H12ClN2O3P/c16-9-6-7-12-11(8-9)14(13(18-12)15(17)19)22(20,21)10-4-2-1-3-5-10/h1-8,18H,(H2,17,19)(H,20,21)
InChIKey
NLOYHFPXKZDKFR-UHFFFAOYSA-N
Compound name
(2-carbamoyl-5-chloro-1H-indol-3-yl)-phenylphosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

334.0274 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.03468 173.3
[M+Na]+ 357.01662 182.8
[M-H]- 333.02012 176.6
[M+NH4]+ 352.06122 188.0
[M+K]+ 372.99056 176.2
[M+H-H2O]+ 317.02466 164.8
[M+HCOO]- 379.02560 194.0
[M+CH3COO]- 393.04125 204.6
[M+Na-2H]- 355.00207 174.2
[M]+ 334.02685 174.8
[M]- 334.02795 174.8
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