CID 1201026

5-(thiophen-2-yl)-1h-pyrrole-2-carbaldehyde

Structural Information

Molecular Formula
C9H7NOS
SMILES
C1=CSC(=C1)C2=CC=C(N2)C=O
InChI
InChI=1S/C9H7NOS/c11-6-7-3-4-8(10-7)9-2-1-5-12-9/h1-6,10H
InChIKey
KXJJSRMUFORMAT-UHFFFAOYSA-N
Compound name
5-thiophen-2-yl-1H-pyrrole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

177.02484 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.032116 135.1
[M+Na]+ 200.014058 146.6
[M-H]- 176.017564 141.0
[M+NH4]+ 195.058663 157.8
[M+K]+ 215.987998 142.7
[M+H-H2O]+ 160.022100 129.7
[M+HCOO]- 222.023041 156.9
[M+CH3COO]- 236.038691 150.1
[M+Na-2H]- 197.999506 137.1
[M]+ 177.02429142 137.9
[M]- 177.02538858 137.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe