CID 76752

1-chloro-3,4-dihydronaphthalene-2-carboxaldehyde

Structural Information

Molecular Formula
C11H9ClO
SMILES
C1CC(=C(C2=CC=CC=C21)Cl)C=O
InChI
InChI=1S/C11H9ClO/c12-11-9(7-13)6-5-8-3-1-2-4-10(8)11/h1-4,7H,5-6H2
InChIKey
GBRFPPIJEHQBGK-UHFFFAOYSA-N
Compound name
1-chloro-3,4-dihydronaphthalene-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

54
Patents

192.0342 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.041476 136.3
[M+Na]+ 215.023418 146.3
[M-H]- 191.026924 140.9
[M+NH4]+ 210.068023 158.1
[M+K]+ 230.997358 141.4
[M+H-H2O]+ 175.031460 131.5
[M+HCOO]- 237.032401 154.6
[M+CH3COO]- 251.048051 182.4
[M+Na-2H]- 213.008866 143.9
[M]+ 192.03365142 137.8
[M]- 192.03474858 137.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe