CID 13791174

5-(2-nitrophenyl)thiophene-2-carbaldehyde

Structural Information

Molecular Formula
C11H7NO3S
SMILES
C1=CC=C(C(=C1)C2=CC=C(S2)C=O)[N+](=O)[O-]
InChI
InChI=1S/C11H7NO3S/c13-7-8-5-6-11(16-8)9-3-1-2-4-10(9)12(14)15/h1-7H
InChIKey
XATOZQNAFCDQPC-UHFFFAOYSA-N
Compound name
5-(2-nitrophenyl)thiophene-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.01466 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.02194 149.1
[M+Na]+ 256.00388 157.6
[M-H]- 232.00738 156.8
[M+NH4]+ 251.04848 168.4
[M+K]+ 271.97782 149.9
[M+H-H2O]+ 216.01192 147.3
[M+HCOO]- 278.01286 171.5
[M+CH3COO]- 292.02851 181.5
[M+Na-2H]- 253.98933 153.0
[M]+ 233.01411 150.0
[M]- 233.01521 150.0
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