CID 16228905

926239-75-0

Structural Information

Molecular Formula
C10H8ClNO5
SMILES
C1C(COC2=C1C=C(C=C2[N+](=O)[O-])Cl)C(=O)O
InChI
InChI=1S/C10H8ClNO5/c11-7-2-5-1-6(10(13)14)4-17-9(5)8(3-7)12(15)16/h2-3,6H,1,4H2,(H,13,14)
InChIKey
RYTMVTXXMSRLGT-UHFFFAOYSA-N
Compound name
6-chloro-8-nitro-3,4-dihydro-2H-chromene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.0091 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.01638 148.8
[M+Na]+ 279.99832 156.1
[M-H]- 256.00182 152.6
[M+NH4]+ 275.04292 164.7
[M+K]+ 295.97226 150.0
[M+H-H2O]+ 240.00636 148.7
[M+HCOO]- 302.00730 163.9
[M+CH3COO]- 316.02295 184.7
[M+Na-2H]- 277.98377 155.8
[M]+ 257.00855 149.0
[M]- 257.00965 149.0
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.