CID 366665

Nsc635340

Structural Information

Molecular Formula
C15H12ClNO4
SMILES
CC1=CC(=CC2=C1NC(=O)C2(CC(=O)C3=CC=CO3)O)Cl
InChI
InChI=1S/C15H12ClNO4/c1-8-5-9(16)6-10-13(8)17-14(19)15(10,20)7-11(18)12-3-2-4-21-12/h2-6,20H,7H2,1H3,(H,17,19)
InChIKey
QBHIUPQPVDCONJ-UHFFFAOYSA-N
Compound name
5-chloro-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.04547 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.05275 166.2
[M+Na]+ 328.03469 177.1
[M-H]- 304.03819 171.9
[M+NH4]+ 323.07929 184.9
[M+K]+ 344.00863 172.1
[M+H-H2O]+ 288.04273 161.9
[M+HCOO]- 350.04367 180.5
[M+CH3COO]- 364.05932 196.4
[M+Na-2H]- 326.02014 167.5
[M]+ 305.04492 169.9
[M]- 305.04602 169.9
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.