CID 252679

10242-15-6

Structural Information

Molecular Formula
C10H5NO6
SMILES
C1=CC2=C(C=C1[N+](=O)[O-])C=C(C(=O)O2)C(=O)O
InChI
InChI=1S/C10H5NO6/c12-9(13)7-4-5-3-6(11(15)16)1-2-8(5)17-10(7)14/h1-4H,(H,12,13)
InChIKey
VZOCWMKJXRWWFI-UHFFFAOYSA-N
Compound name
6-nitro-2-oxochromene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

27
Patents

235.01169 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.01897 141.3
[M+Na]+ 258.00091 150.3
[M-H]- 234.00441 146.3
[M+NH4]+ 253.04551 157.3
[M+K]+ 273.97485 145.4
[M+H-H2O]+ 218.00895 139.8
[M+HCOO]- 280.00989 164.2
[M+CH3COO]- 294.02554 181.6
[M+Na-2H]- 255.98636 151.0
[M]+ 235.01114 142.9
[M]- 235.01224 142.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe