CID 22934736

7-chloro-2h-chromene-3-carboxylic acid

Structural Information

Molecular Formula
C10H7ClO3
SMILES
C1C(=CC2=C(O1)C=C(C=C2)Cl)C(=O)O
InChI
InChI=1S/C10H7ClO3/c11-8-2-1-6-3-7(10(12)13)5-14-9(6)4-8/h1-4H,5H2,(H,12,13)
InChIKey
CDXVFVDHMXXSFA-UHFFFAOYSA-N
Compound name
7-chloro-2H-chromene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

210.00838 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.01566 138.2
[M+Na]+ 232.99760 147.9
[M-H]- 209.00110 142.5
[M+NH4]+ 228.04220 157.2
[M+K]+ 248.97154 144.9
[M+H-H2O]+ 193.00564 133.7
[M+HCOO]- 255.00658 153.8
[M+CH3COO]- 269.02223 181.8
[M+Na-2H]- 230.98305 145.7
[M]+ 210.00783 140.6
[M]- 210.00893 140.6
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

patents stripe