CID 139534292

2377645-90-2

Structural Information

Molecular Formula
C11H9ClN2O4
SMILES
C1CN(C(=O)NC1=O)C2=C(C=CC(=C2)C(=O)O)Cl
InChI
InChI=1S/C11H9ClN2O4/c12-7-2-1-6(10(16)17)5-8(7)14-4-3-9(15)13-11(14)18/h1-2,5H,3-4H2,(H,16,17)(H,13,15,18)
InChIKey
KYEDERIYNVEFGP-UHFFFAOYSA-N
Compound name
4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

268.0251 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.03238 155.0
[M+Na]+ 291.01432 167.4
[M+NH4]+ 286.05892 160.6
[M+K]+ 306.98826 162.8
[M-H]- 267.01782 155.2
[M+Na-2H]- 288.99977 159.4
[M]+ 268.02455 156.7
[M]- 268.02565 156.7
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