CID 12664408

6,7-dichloro-3,4-dihydro-2h-1-benzopyran-4-one

Structural Information

Molecular Formula
C9H6Cl2O2
SMILES
C1COC2=CC(=C(C=C2C1=O)Cl)Cl
InChI
InChI=1S/C9H6Cl2O2/c10-6-3-5-8(12)1-2-13-9(5)4-7(6)11/h3-4H,1-2H2
InChIKey
KKDHVYHUAYOZCR-UHFFFAOYSA-N
Compound name
6,7-dichloro-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

215.97449 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.98177 138.1
[M+Na]+ 238.96371 149.2
[M-H]- 214.96721 143.0
[M+NH4]+ 234.00831 158.3
[M+K]+ 254.93765 145.3
[M+H-H2O]+ 198.97175 134.5
[M+HCOO]- 260.97269 149.8
[M+CH3COO]- 274.98834 184.6
[M+Na-2H]- 236.94916 145.2
[M]+ 215.97394 141.1
[M]- 215.97504 141.1
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