CID 22336604

1555328-23-8

Structural Information

Molecular Formula
C11H8O2S
SMILES
C1=CC=C2C(=C1)C=CC(=C2S)C(=O)O
InChI
InChI=1S/C11H8O2S/c12-11(13)9-6-5-7-3-1-2-4-8(7)10(9)14/h1-6,14H,(H,12,13)
InChIKey
OZAAEETZNZUQRX-UHFFFAOYSA-N
Compound name
1-sulfanylnaphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

306
Patents

204.0245 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.031776 138.8
[M+Na]+ 227.013718 148.3
[M-H]- 203.017224 142.8
[M+NH4]+ 222.058323 159.1
[M+K]+ 242.987658 144.4
[M+H-H2O]+ 187.021760 133.7
[M+HCOO]- 249.022701 155.6
[M+CH3COO]- 263.038351 182.3
[M+Na-2H]- 224.999166 143.5
[M]+ 204.02395142 141.1
[M]- 204.02504858 141.1
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