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]+ 306.052746 166.2
[M+Na]+ 328.034688 177.1
[M-H]- 304.038194 171.9
[M+NH4]+ 323.079293 184.9
[M+K]+ 344.008628 172.1
[M+H-H2O]+ 288.042730 161.9
[M+HCOO]- 350.043671 180.5
[M+CH3COO]- 364.059321 196.4
[M+Na-2H]- 326.020136 167.5
[M]+ 305.04492142 169.9
[M]- 305.04601858 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.