CID 67353

1171630-97-9

Structural Information

Molecular Formula
C10H7ClO3S
SMILES
C1=CC2=C(C(=C1)S(=O)(=O)O)C(=CC=C2)Cl
InChI
InChI=1S/C10H7ClO3S/c11-8-5-1-3-7-4-2-6-9(10(7)8)15(12,13)14/h1-6H,(H,12,13,14)
InChIKey
OPFNCYFEIBUZHU-UHFFFAOYSA-N
Compound name
8-chloronaphthalene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

284
Patents

241.98044 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.98772 144.5
[M+Na]+ 264.96966 155.8
[M-H]- 240.97316 148.9
[M+NH4]+ 260.01426 164.3
[M+K]+ 280.94360 150.5
[M+H-H2O]+ 224.97770 140.7
[M+HCOO]- 286.97864 157.0
[M+CH3COO]- 300.99429 184.0
[M+Na-2H]- 262.95511 151.3
[M]+ 241.97989 149.4
[M]- 241.98099 149.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe