CID 39869125

7-chloro-5-(chloromethyl)-2,2-dimethyl-2,3-dihydro-1-benzofuran

Structural Information

Molecular Formula
C11H12Cl2O
SMILES
CC1(CC2=C(O1)C(=CC(=C2)CCl)Cl)C
InChI
InChI=1S/C11H12Cl2O/c1-11(2)5-8-3-7(6-12)4-9(13)10(8)14-11/h3-4H,5-6H2,1-2H3
InChIKey
JMVAWMGMUAWRNU-UHFFFAOYSA-N
Compound name
7-chloro-5-(chloromethyl)-2,2-dimethyl-3H-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.02652 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.03380 146.5
[M+Na]+ 253.01574 158.4
[M-H]- 229.01924 151.6
[M+NH4]+ 248.06034 170.1
[M+K]+ 268.98968 153.6
[M+H-H2O]+ 213.02378 143.6
[M+HCOO]- 275.02472 159.1
[M+CH3COO]- 289.04037 160.6
[M+Na-2H]- 251.00119 151.9
[M]+ 230.02597 151.5
[M]- 230.02707 151.5
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.