CID 2431658

2-(1,2-dihydroacenaphthylen-5-ylsulfanyl)acetic acid

Structural Information

Molecular Formula
C14H12O2S
SMILES
C1CC2=CC=C(C3=CC=CC1=C23)SCC(=O)O
InChI
InChI=1S/C14H12O2S/c15-13(16)8-17-12-7-6-10-5-4-9-2-1-3-11(12)14(9)10/h1-3,6-7H,4-5,8H2,(H,15,16)
InChIKey
ILIYQPKGPUGGBV-UHFFFAOYSA-N
Compound name
2-(1,2-dihydroacenaphthylen-5-ylsulfanyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

244.0558 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.06308 151.2
[M+Na]+ 267.04502 163.5
[M+NH4]+ 262.08962 161.3
[M+K]+ 283.01896 156.0
[M-H]- 243.04852 153.5
[M+Na-2H]- 265.03047 155.4
[M]+ 244.05525 154.1
[M]- 244.05635 154.1
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

No patent data available for this compound.