CID 117278515

6-chloro-2,3-dihydro-1h-indene-4-carbaldehyde

Structural Information

Molecular Formula
C10H9ClO
SMILES
C1CC2=C(C1)C(=CC(=C2)Cl)C=O
InChI
InChI=1S/C10H9ClO/c11-9-4-7-2-1-3-10(7)8(5-9)6-12/h4-6H,1-3H2
InChIKey
DINHNXJQZFUCLY-UHFFFAOYSA-N
Compound name
6-chloro-2,3-dihydro-1H-indene-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.0342 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.041476 135.7
[M+Na]+ 203.023418 146.1
[M-H]- 179.026924 140.5
[M+NH4]+ 198.068023 159.8
[M+K]+ 218.997358 141.4
[M+H-H2O]+ 163.031460 131.5
[M+HCOO]- 225.032401 155.0
[M+CH3COO]- 239.048051 179.3
[M+Na-2H]- 201.008866 141.1
[M]+ 180.03365142 137.5
[M]- 180.03474858 137.5
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

No patent data available for this compound.