CID 43523662

1154141-63-5

Structural Information

Molecular Formula
C12H9ClO4S
SMILES
COC(=O)C1=CC2=CC=CC=C2C=C1S(=O)(=O)Cl
InChI
InChI=1S/C12H9ClO4S/c1-17-12(14)10-6-8-4-2-3-5-9(8)7-11(10)18(13,15)16/h2-7H,1H3
InChIKey
RJFUIXWQYYNIBE-UHFFFAOYSA-N
Compound name
methyl 3-chlorosulfonylnaphthalene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.991 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.99828 157.5
[M+Na]+ 306.98022 171.3
[M+NH4]+ 302.02482 165.7
[M+K]+ 322.95416 163.3
[M-H]- 282.98372 158.7
[M+Na-2H]- 304.96567 163.5
[M]+ 283.99045 160.7
[M]- 283.99155 160.7
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.