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
1
Annotation Hits

0
References

46
Patents

285.97028 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.97756 152.9
[M+Na]+ 308.95950 163.5
[M-H]- 284.96300 155.9
[M+NH4]+ 304.00410 169.9
[M+K]+ 324.93344 158.4
[M+H-H2O]+ 268.96754 149.3
[M+HCOO]- 330.96848 163.0
[M+CH3COO]- 344.98413 190.3
[M+Na-2H]- 306.94495 157.7
[M]+ 285.96973 158.3
[M]- 285.97083 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