CID 3074510

158631-60-8

Structural Information

Molecular Formula
C10H9ClN2O3
SMILES
C1C(=O)C2=C(C(=CC=C2)Cl)NN1CC(=O)O
InChI
InChI=1S/C10H9ClN2O3/c11-7-3-1-2-6-8(14)4-13(5-9(15)16)12-10(6)7/h1-3,12H,4-5H2,(H,15,16)
InChIKey
LOFYDKFMQJIQKG-UHFFFAOYSA-N
Compound name
2-(8-chloro-4-oxo-1,3-dihydrocinnolin-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.03017 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.03745 147.7
[M+Na]+ 263.01939 156.8
[M-H]- 239.02289 146.8
[M+NH4]+ 258.06399 163.2
[M+K]+ 278.99333 151.5
[M+H-H2O]+ 223.02743 141.7
[M+HCOO]- 285.02837 158.7
[M+CH3COO]- 299.04402 185.6
[M+Na-2H]- 261.00484 152.1
[M]+ 240.02962 146.7
[M]- 240.03072 146.7
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

No patent data available for this compound.