CID 86232932

5-(2-fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1h-pyrrole-3-carbaldehyde

Structural Information

Molecular Formula
C16H11FN2O3S
SMILES
C1=CC=C(C(=C1)C2=CC(=CN2S(=O)(=O)C3=CN=CC=C3)C=O)F
InChI
InChI=1S/C16H11FN2O3S/c17-15-6-2-1-5-14(15)16-8-12(11-20)10-19(16)23(21,22)13-4-3-7-18-9-13/h1-11H
InChIKey
IXCSYEVJOAWXRH-UHFFFAOYSA-N
Compound name
5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

178
Patents

330.04745 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.05473 173.6
[M+Na]+ 353.03667 184.8
[M-H]- 329.04017 180.9
[M+NH4]+ 348.08127 187.1
[M+K]+ 369.01061 178.8
[M+H-H2O]+ 313.04471 164.4
[M+HCOO]- 375.04565 190.5
[M+CH3COO]- 389.06130 203.2
[M+Na-2H]- 351.02212 175.5
[M]+ 330.04690 176.7
[M]- 330.04800 176.7
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