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

348
Patents

204.0245 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.03178 138.8
[M+Na]+ 227.01372 148.3
[M-H]- 203.01722 142.8
[M+NH4]+ 222.05832 159.1
[M+K]+ 242.98766 144.4
[M+H-H2O]+ 187.02176 133.7
[M+HCOO]- 249.02270 155.6
[M+CH3COO]- 263.03835 182.3
[M+Na-2H]- 224.99917 143.5
[M]+ 204.02395 141.1
[M]- 204.02505 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