CID 3074508

2-(carboxymethyl)-8-chloro-4-hydroxycinnolinium inner salt

Structural Information

Molecular Formula
C10H8ClN2O3
SMILES
C1=CC2=C(C(=C1)Cl)N[N+](=CC2=O)CC(=O)O
InChI
InChI=1S/C10H7ClN2O3/c11-7-3-1-2-6-8(14)4-13(5-9(15)16)12-10(6)7/h1-4H,5H2,(H-,12,14,15,16)/p+1
InChIKey
CHFCCXDFJKOFQM-UHFFFAOYSA-O
Compound name
2-(8-chloro-4-oxo-1H-cinnolin-2-ium-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.02234 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.02962 144.2
[M+Na]+ 262.01156 160.7
[M+NH4]+ 257.05616 152.3
[M+K]+ 277.98550 155.5
[M-H]- 238.01506 145.8
[M+Na-2H]- 259.99701 150.7
[M]+ 239.02179 147.5
[M]- 239.02289 147.5
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.

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No patent data available for this compound.