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

18
Patents

182.04984 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.057116 135.2
[M+Na]+ 205.039058 146.3
[M-H]- 181.042564 141.0
[M+NH4]+ 200.083663 160.2
[M+K]+ 221.012998 143.3
[M+H-H2O]+ 165.047100 131.8
[M+HCOO]- 227.048041 153.4
[M+CH3COO]- 241.063691 150.4
[M+Na-2H]- 203.024506 142.7
[M]+ 182.04929142 138.5
[M]- 182.05038858 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