CID 2966634

5-(4-chlorophenyl)-1-methyl-1h-pyrrole-2-carbaldehyde

Structural Information

Molecular Formula
C12H10ClNO
SMILES
CN1C(=CC=C1C2=CC=C(C=C2)Cl)C=O
InChI
InChI=1S/C12H10ClNO/c1-14-11(8-15)6-7-12(14)9-2-4-10(13)5-3-9/h2-8H,1H3
InChIKey
DAQYSXUEFNMIPO-UHFFFAOYSA-N
Compound name
5-(4-chlorophenyl)-1-methylpyrrole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

219.04509 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.05237 145.3
[M+Na]+ 242.03431 156.7
[M-H]- 218.03781 151.4
[M+NH4]+ 237.07891 165.6
[M+K]+ 258.00825 151.3
[M+H-H2O]+ 202.04235 138.9
[M+HCOO]- 264.04329 165.6
[M+CH3COO]- 278.05894 186.9
[M+Na-2H]- 240.01976 149.2
[M]+ 219.04454 148.9
[M]- 219.04564 148.9
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

No patent data available for this compound.