CID 116994

7-methyl-4-indancarbonyl chloride

Structural Information

Molecular Formula
C11H11ClO
SMILES
CC1=C2CCCC2=C(C=C1)C(=O)Cl
InChI
InChI=1S/C11H11ClO/c1-7-5-6-10(11(12)13)9-4-2-3-8(7)9/h5-6H,2-4H2,1H3
InChIKey
IWRUWMJIGNNZOA-UHFFFAOYSA-N
Compound name
7-methyl-2,3-dihydro-1H-indene-4-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.04984 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.05712 140.6
[M+Na]+ 217.03906 150.2
[M-H]- 193.04256 145.3
[M+NH4]+ 212.08366 164.1
[M+K]+ 233.01300 145.7
[M+H-H2O]+ 177.04710 136.4
[M+HCOO]- 239.04804 158.5
[M+CH3COO]- 253.06369 183.2
[M+Na-2H]- 215.02451 144.3
[M]+ 194.04929 142.1
[M]- 194.05039 142.1
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.