CID 14159

1090-07-9

Structural Information

Molecular Formula
C17H14O2S
SMILES
C1=CC=C2C(=C1)C=CC=C2C(CC3=CC=CS3)C(=O)O
InChI
InChI=1S/C17H14O2S/c18-17(19)16(11-13-7-4-10-20-13)15-9-3-6-12-5-1-2-8-14(12)15/h1-10,16H,11H2,(H,18,19)
InChIKey
IBCHNEZGGJNGHS-UHFFFAOYSA-N
Compound name
2-naphthalen-1-yl-3-thiophen-2-ylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

282.07144 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.07872 164.2
[M+Na]+ 305.06066 172.5
[M-H]- 281.06416 171.1
[M+NH4]+ 300.10526 182.6
[M+K]+ 321.03460 167.2
[M+H-H2O]+ 265.06870 158.0
[M+HCOO]- 327.06964 181.8
[M+CH3COO]- 341.08529 176.3
[M+Na-2H]- 303.04611 166.0
[M]+ 282.07089 167.4
[M]- 282.07199 167.4
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