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]+ 211.015656 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

No literature data available for this compound.

Patent stripe

patents stripe