CID 66572554

7-chloro-2-methylnaphthalene-1-carbaldehyde

Structural Information

Molecular Formula
C12H9ClO
SMILES
CC1=C(C2=C(C=C1)C=CC(=C2)Cl)C=O
InChI
InChI=1S/C12H9ClO/c1-8-2-3-9-4-5-10(13)6-11(9)12(8)7-14/h2-7H,1H3
InChIKey
SSKSAYXGELKGPL-UHFFFAOYSA-N
Compound name
7-chloro-2-methylnaphthalene-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

204.0342 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.04148 138.9
[M+Na]+ 227.02342 150.5
[M-H]- 203.02692 144.2
[M+NH4]+ 222.06802 160.7
[M+K]+ 242.99736 145.2
[M+H-H2O]+ 187.03146 134.2
[M+HCOO]- 249.03240 158.3
[M+CH3COO]- 263.04805 186.2
[M+Na-2H]- 225.00887 146.3
[M]+ 204.03365 142.7
[M]- 204.03475 142.7
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

patents stripe