CID 50990500

3-(chlorosulfonyl)naphthalene-1-carboxylic acid

Structural Information

Molecular Formula
C11H7ClO4S
SMILES
C1=CC=C2C(=C1)C=C(C=C2C(=O)O)S(=O)(=O)Cl
InChI
InChI=1S/C11H7ClO4S/c12-17(15,16)8-5-7-3-1-2-4-9(7)10(6-8)11(13)14/h1-6H,(H,13,14)
InChIKey
JRFYPKSICGXQGM-UHFFFAOYSA-N
Compound name
3-chlorosulfonylnaphthalene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.97537 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.98265 153.2
[M+Na]+ 292.96459 166.6
[M+NH4]+ 288.00919 161.1
[M+K]+ 308.93853 159.1
[M-H]- 268.96809 153.9
[M+Na-2H]- 290.95004 158.8
[M]+ 269.97482 156.1
[M]- 269.97592 156.1
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.