CID 8420

Naphthalene-2-sulfonic acid

Structural Information

Molecular Formula
C10H8O3S
SMILES
C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)O
InChI
InChI=1S/C10H8O3S/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,11,12,13)
InChIKey
KVBGVZZKJNLNJU-UHFFFAOYSA-N
Compound name
naphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

65
References

186758
Patents

208.01941 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.02669 139.4
[M+Na]+ 231.00863 149.2
[M-H]- 207.01213 143.3
[M+NH4]+ 226.05323 159.3
[M+K]+ 246.98257 145.4
[M+H-H2O]+ 191.01667 134.4
[M+HCOO]- 253.01761 156.4
[M+CH3COO]- 267.03326 179.0
[M+Na-2H]- 228.99408 147.1
[M]+ 208.01886 141.8
[M]- 208.01996 141.8
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