CID 103610

52237-05-5

Structural Information

Molecular Formula
C19H10ClNO4
SMILES
C1=CC=C2C(=C1)C=C(C(=N2)C3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)Cl)O
InChI
InChI=1S/C19H10ClNO4/c20-19(25)10-5-6-11-12(7-10)18(24)15(17(11)23)16-14(22)8-9-3-1-2-4-13(9)21-16/h1-8,15,22H
InChIKey
PQVLFZPMTPSKDA-UHFFFAOYSA-N
Compound name
2-(3-hydroxyquinolin-2-yl)-1,3-dioxoindene-5-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

351.02985 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.03713 177.6
[M+Na]+ 374.01907 189.3
[M-H]- 350.02257 184.7
[M+NH4]+ 369.06367 193.5
[M+K]+ 389.99301 182.4
[M+H-H2O]+ 334.02711 170.7
[M+HCOO]- 396.02805 191.8
[M+CH3COO]- 410.04370 189.2
[M+Na-2H]- 372.00452 179.1
[M]+ 351.02930 181.7
[M]- 351.03040 181.7
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

patents stripe