CID 16073039

4-(5-chloro-1h-indol-2-yl)-2,4-dioxo-butanoic acid

Structural Information

Molecular Formula
C12H8ClNO4
SMILES
C1=CC2=C(C=C1Cl)C=C(N2)C(=O)CC(=O)C(=O)O
InChI
InChI=1S/C12H8ClNO4/c13-7-1-2-8-6(3-7)4-9(14-8)10(15)5-11(16)12(17)18/h1-4,14H,5H2,(H,17,18)
InChIKey
STHSTWYUSXXFKJ-UHFFFAOYSA-N
Compound name
4-(5-chloro-1H-indol-2-yl)-2,4-dioxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.0142 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.02148 152.7
[M+Na]+ 288.00342 162.6
[M-H]- 264.00692 154.1
[M+NH4]+ 283.04802 170.2
[M+K]+ 303.97736 157.5
[M+H-H2O]+ 248.01146 147.8
[M+HCOO]- 310.01240 167.9
[M+CH3COO]- 324.02805 189.6
[M+Na-2H]- 285.98887 154.9
[M]+ 265.01365 156.2
[M]- 265.01475 156.2
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

No patent data available for this compound.