CID 116824

70714-67-9

Structural Information

Molecular Formula
C11H7ClO5S
SMILES
C1=CC2=C(C=CC(=C2C(=O)O)O)C=C1S(=O)(=O)Cl
InChI
InChI=1S/C11H7ClO5S/c12-18(16,17)7-2-3-8-6(5-7)1-4-9(13)10(8)11(14)15/h1-5,13H,(H,14,15)
InChIKey
YTGWIRDQNSSAJX-UHFFFAOYSA-N
Compound name
6-chlorosulfonyl-2-hydroxynaphthalene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

23
Patents

285.97028 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.977556 152.9
[M+Na]+ 308.959498 163.5
[M-H]- 284.963004 155.9
[M+NH4]+ 304.004103 169.9
[M+K]+ 324.933438 158.4
[M+H-H2O]+ 268.967540 149.3
[M+HCOO]- 330.968481 163.0
[M+CH3COO]- 344.984131 190.3
[M+Na-2H]- 306.944946 157.7
[M]+ 285.96973142 158.3
[M]- 285.97082858 158.3
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