CID 121007381

49571-51-9

Structural Information

Molecular Formula
C12H10OS
SMILES
CSC1=C(C=CC2=CC=CC=C21)C=O
InChI
InChI=1S/C12H10OS/c1-14-12-10(8-13)7-6-9-4-2-3-5-11(9)12/h2-8H,1H3
InChIKey
WATXBZCEQLSOMR-UHFFFAOYSA-N
Compound name
1-methylsulfanylnaphthalene-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.04524 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.05252 139.2
[M+Na]+ 225.03446 149.3
[M-H]- 201.03796 144.5
[M+NH4]+ 220.07906 160.6
[M+K]+ 241.00840 145.0
[M+H-H2O]+ 185.04250 133.7
[M+HCOO]- 247.04344 158.1
[M+CH3COO]- 261.05909 185.0
[M+Na-2H]- 223.01991 144.8
[M]+ 202.04469 142.9
[M]- 202.04579 142.9
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.