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]+ 195.057116 140.6
[M+Na]+ 217.039058 150.2
[M-H]- 193.042564 145.3
[M+NH4]+ 212.083663 164.1
[M+K]+ 233.012998 145.7
[M+H-H2O]+ 177.047100 136.4
[M+HCOO]- 239.048041 158.5
[M+CH3COO]- 253.063691 183.2
[M+Na-2H]- 215.024506 144.3
[M]+ 194.04929142 142.1
[M]- 194.05038858 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.