CID 1268281

51069-84-2

Structural Information

Molecular Formula
C11H7ClO3
SMILES
CC1=CC2=C(C=C1)OC(=O)C(=C2Cl)C=O
InChI
InChI=1S/C11H7ClO3/c1-6-2-3-9-7(4-6)10(12)8(5-13)11(14)15-9/h2-5H,1H3
InChIKey
HXSVKJZDKJJYAF-UHFFFAOYSA-N
Compound name
4-chloro-6-methyl-2-oxochromene-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

222.00838 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.015656 139.6
[M+Na]+ 244.997598 152.7
[M-H]- 221.001104 146.2
[M+NH4]+ 240.042203 159.6
[M+K]+ 260.971538 149.3
[M+H-H2O]+ 205.005640 134.9
[M+HCOO]- 267.006581 159.0
[M+CH3COO]- 281.022231 187.8
[M+Na-2H]- 242.983046 147.8
[M]+ 222.00783142 146.3
[M]- 222.00892858 146.3
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

patents stripe