CID 62326153

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

Structural Information

Molecular Formula
C11H13ClO
SMILES
CC1(CC2=C(O1)C=CC(=C2)CCl)C
InChI
InChI=1S/C11H13ClO/c1-11(2)6-9-5-8(7-12)3-4-10(9)13-11/h3-5H,6-7H2,1-2H3
InChIKey
DVRYIRZASBSPAB-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-2,2-dimethyl-3H-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

196.06549 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.07277 140.0
[M+Na]+ 219.05471 150.7
[M-H]- 195.05821 145.6
[M+NH4]+ 214.09931 164.4
[M+K]+ 235.02865 147.4
[M+H-H2O]+ 179.06275 136.4
[M+HCOO]- 241.06369 157.9
[M+CH3COO]- 255.07934 182.7
[M+Na-2H]- 217.04016 146.9
[M]+ 196.06494 143.7
[M]- 196.06604 143.7
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

patents stripe