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]+ 181.04148 135.7
[M+Na]+ 203.02342 146.1
[M-H]- 179.02692 140.5
[M+NH4]+ 198.06802 159.8
[M+K]+ 218.99736 141.4
[M+H-H2O]+ 163.03146 131.5
[M+HCOO]- 225.03240 155.0
[M+CH3COO]- 239.04805 179.3
[M+Na-2H]- 201.00887 141.1
[M]+ 180.03365 137.5
[M]- 180.03475 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.