CID 16228905

6-chloro-8-nitrochromane-3-carboxylic acid

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 147.3
[M+Na]+ 279.99832 160.7
[M+NH4]+ 275.04292 155.1
[M+K]+ 295.97226 158.5
[M-H]- 256.00182 150.9
[M+Na-2H]- 277.98377 151.1
[M]+ 257.00855 150.3
[M]- 257.00965 150.3
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.