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

19
Patents

177.02484 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.03212 135.1
[M+Na]+ 200.01406 146.6
[M-H]- 176.01756 141.0
[M+NH4]+ 195.05866 157.8
[M+K]+ 215.98800 142.7
[M+H-H2O]+ 160.02210 129.7
[M+HCOO]- 222.02304 156.9
[M+CH3COO]- 236.03869 150.1
[M+Na-2H]- 197.99951 137.1
[M]+ 177.02429 137.9
[M]- 177.02539 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

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