CID 16771890

1-(naphthalene-2-sulfonyl)cyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C15H14O4S
SMILES
C1CC(C1)(C(=O)O)S(=O)(=O)C2=CC3=CC=CC=C3C=C2
InChI
InChI=1S/C15H14O4S/c16-14(17)15(8-3-9-15)20(18,19)13-7-6-11-4-1-2-5-12(11)10-13/h1-2,4-7,10H,3,8-9H2,(H,16,17)
InChIKey
HQZPPZLOJPWLSO-UHFFFAOYSA-N
Compound name
1-naphthalen-2-ylsulfonylcyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.06128 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.06856 160.6
[M+Na]+ 313.05050 166.1
[M-H]- 289.05400 166.1
[M+NH4]+ 308.09510 171.6
[M+K]+ 329.02444 165.6
[M+H-H2O]+ 273.05854 149.1
[M+HCOO]- 335.05948 173.2
[M+CH3COO]- 349.07513 197.1
[M+Na-2H]- 311.03595 165.7
[M]+ 290.06073 170.6
[M]- 290.06183 170.6
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.