CID 33863

Brn 1393084

Structural Information

Molecular Formula
C12H8ClNO5
SMILES
C1=CC2=C(C=C1Cl)C(=O)C=C(O2)C(=O)NCC(=O)O
InChI
InChI=1S/C12H8ClNO5/c13-6-1-2-9-7(3-6)8(15)4-10(19-9)12(18)14-5-11(16)17/h1-4H,5H2,(H,14,18)(H,16,17)
InChIKey
RSQWOBVIUYYSIF-UHFFFAOYSA-N
Compound name
2-[(6-chloro-4-oxochromene-2-carbonyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.0091 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.01638 154.5
[M+Na]+ 303.99832 164.3
[M-H]- 280.00182 159.2
[M+NH4]+ 299.04292 170.3
[M+K]+ 319.97226 161.5
[M+H-H2O]+ 264.00636 149.2
[M+HCOO]- 326.00730 171.7
[M+CH3COO]- 340.02295 197.2
[M+Na-2H]- 301.98377 160.5
[M]+ 281.00855 159.7
[M]- 281.00965 159.7
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.