CID 827548

5-(4-nitrophenyl)thiophene-2-carboxylic acid

Structural Information

Molecular Formula
C11H7NO4S
SMILES
C1=CC(=CC=C1C2=CC=C(S2)C(=O)O)[N+](=O)[O-]
InChI
InChI=1S/C11H7NO4S/c13-11(14)10-6-5-9(17-10)7-1-3-8(4-2-7)12(15)16/h1-6H,(H,13,14)
InChIKey
KQLUSGVTGAPFDW-UHFFFAOYSA-N
Compound name
5-(4-nitrophenyl)thiophene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

249.00958 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.01686 149.5
[M+Na]+ 271.99880 161.6
[M+NH4]+ 267.04340 157.4
[M+K]+ 287.97274 159.0
[M-H]- 248.00230 153.3
[M+Na-2H]- 269.98425 155.8
[M]+ 249.00903 152.5
[M]- 249.01013 152.5
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