CID 596929

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

3
References

208
Patents

210.00838 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.015656 138.2
[M+Na]+ 232.997598 147.9
[M-H]- 209.001104 142.5
[M+NH4]+ 228.042203 157.2
[M+K]+ 248.971538 144.9
[M+H-H2O]+ 193.005640 133.7
[M+HCOO]- 255.006581 153.8
[M+CH3COO]- 269.022231 181.8
[M+Na-2H]- 230.983046 145.7
[M]+ 210.00783142 140.6
[M]- 210.00892858 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

literature stripe

Patent stripe

patents stripe