CID 361305

Nsc624252

Structural Information

Molecular Formula
C14H12O3S
SMILES
C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)CC#CCO
InChI
InChI=1S/C14H12O3S/c15-9-3-4-10-18(16,17)14-8-7-12-5-1-2-6-13(12)11-14/h1-2,5-8,11,15H,9-10H2
InChIKey
HHSZEVIEJRFCSF-UHFFFAOYSA-N
Compound name
4-naphthalen-2-ylsulfonylbut-2-yn-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.05072 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.05800 168.2
[M+Na]+ 283.03994 179.6
[M-H]- 259.04344 170.4
[M+NH4]+ 278.08454 184.2
[M+K]+ 299.01388 172.6
[M+H-H2O]+ 243.04798 156.9
[M+HCOO]- 305.04892 178.7
[M+CH3COO]- 319.06457 195.5
[M+Na-2H]- 281.02539 171.8
[M]+ 260.05017 165.4
[M]- 260.05127 165.4
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.