CID 54676236

Nsc625910

Structural Information

Molecular Formula
C16H11Cl2NO6
SMILES
CC1=CC(=C(C(=O)O1)C(=O)CC2(C3=C(C(=CC(=C3)Cl)Cl)NC2=O)O)O
InChI
InChI=1S/C16H11Cl2NO6/c1-6-2-10(20)12(14(22)25-6)11(21)5-16(24)8-3-7(17)4-9(18)13(8)19-15(16)23/h2-4,20,24H,5H2,1H3,(H,19,23)
InChIKey
ORAMVSKOWWUEET-UHFFFAOYSA-N
Compound name
5,7-dichloro-3-hydroxy-3-[2-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-2-oxoethyl]-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.99634 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.00362 176.4
[M+Na]+ 405.98556 189.2
[M-H]- 381.98906 180.9
[M+NH4]+ 401.03016 190.5
[M+K]+ 421.95950 183.5
[M+H-H2O]+ 365.99360 172.6
[M+HCOO]- 427.99454 183.7
[M+CH3COO]- 442.01019 209.6
[M+Na-2H]- 403.97101 177.4
[M]+ 382.99579 182.8
[M]- 382.99689 182.8
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.