CID 934729

1-phenyl-1h-pyrrole-2-carbaldehyde

Structural Information

Molecular Formula
C11H9NO
SMILES
C1=CC=C(C=C1)N2C=CC=C2C=O
InChI
InChI=1S/C11H9NO/c13-9-11-7-4-8-12(11)10-5-2-1-3-6-10/h1-9H
InChIKey
LXEQKKWJDGVPRW-UHFFFAOYSA-N
Compound name
1-phenylpyrrole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

137
Patents

171.06842 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.075696 133.8
[M+Na]+ 194.057638 143.0
[M-H]- 170.061144 139.7
[M+NH4]+ 189.102243 154.6
[M+K]+ 210.031578 139.9
[M+H-H2O]+ 154.065680 126.8
[M+HCOO]- 216.066621 159.2
[M+CH3COO]- 230.082271 177.9
[M+Na-2H]- 192.043086 140.3
[M]+ 171.06787142 134.3
[M]- 171.06896858 134.3
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