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 150.6
[M+Na]+ 292.96459 161.1
[M-H]- 268.96809 154.8
[M+NH4]+ 288.00919 168.9
[M+K]+ 308.93853 156.1
[M+H-H2O]+ 252.97263 146.6
[M+HCOO]- 314.97357 162.1
[M+CH3COO]- 328.98922 189.2
[M+Na-2H]- 290.95004 156.1
[M]+ 269.97482 156.0
[M]- 269.97592 156.0
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

patents stripe