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]+ 291.068556 160.6
[M+Na]+ 313.050498 166.1
[M-H]- 289.054004 166.1
[M+NH4]+ 308.095103 171.6
[M+K]+ 329.024438 165.6
[M+H-H2O]+ 273.058540 149.1
[M+HCOO]- 335.059481 173.2
[M+CH3COO]- 349.075131 197.1
[M+Na-2H]- 311.035946 165.7
[M]+ 290.06073142 170.6
[M]- 290.06182858 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.