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 155.4
[M+Na]+ 303.99832 168.2
[M+NH4]+ 299.04292 161.8
[M+K]+ 319.97226 163.7
[M-H]- 280.00182 157.4
[M+Na-2H]- 301.98377 159.6
[M]+ 281.00855 157.8
[M]- 281.00965 157.8
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.