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

4
Patents

196.06549 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.072766 140.0
[M+Na]+ 219.054708 150.7
[M-H]- 195.058214 145.6
[M+NH4]+ 214.099313 164.4
[M+K]+ 235.028648 147.4
[M+H-H2O]+ 179.062750 136.4
[M+HCOO]- 241.063691 157.9
[M+CH3COO]- 255.079341 182.7
[M+Na-2H]- 217.040156 146.9
[M]+ 196.06494142 143.7
[M]- 196.06603858 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