CID 45791863

6,8-bis(chloromethyl)-3,4-dihydro-2h-1-benzopyran

Structural Information

Molecular Formula
C11H12Cl2O
SMILES
C1CC2=C(C(=CC(=C2)CCl)CCl)OC1
InChI
InChI=1S/C11H12Cl2O/c12-6-8-4-9-2-1-3-14-11(9)10(5-8)7-13/h4-5H,1-3,6-7H2
InChIKey
DFRZTGYWHPDJMA-UHFFFAOYSA-N
Compound name
6,8-bis(chloromethyl)-3,4-dihydro-2H-chromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.02652 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.03380 146.3
[M+Na]+ 253.01574 155.3
[M-H]- 229.01924 150.3
[M+NH4]+ 248.06034 165.6
[M+K]+ 268.98968 150.8
[M+H-H2O]+ 213.02378 141.9
[M+HCOO]- 275.02472 156.8
[M+CH3COO]- 289.04037 158.9
[M+Na-2H]- 251.00119 152.7
[M]+ 230.02597 148.7
[M]- 230.02707 148.7
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

No patent data available for this compound.