CID 12379534

10178-55-9

Structural Information

Molecular Formula
C10H11ClO
SMILES
CC1(CC2=C(O1)C(=CC=C2)Cl)C
InChI
InChI=1S/C10H11ClO/c1-10(2)6-7-4-3-5-8(11)9(7)12-10/h3-5H,6H2,1-2H3
InChIKey
HQNCYHHQGGYKRZ-UHFFFAOYSA-N
Compound name
7-chloro-2,2-dimethyl-3H-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

182.04984 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.05712 135.2
[M+Na]+ 205.03906 146.3
[M-H]- 181.04256 141.0
[M+NH4]+ 200.08366 160.2
[M+K]+ 221.01300 143.3
[M+H-H2O]+ 165.04710 131.8
[M+HCOO]- 227.04804 153.4
[M+CH3COO]- 241.06369 150.4
[M+Na-2H]- 203.02451 142.7
[M]+ 182.04929 138.5
[M]- 182.05039 138.5
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

patents stripe