CID 19980948

1-(3,5-difluorophenyl)-1h-pyrrole

Structural Information

Molecular Formula
C10H7F2N
SMILES
C1=CN(C=C1)C2=CC(=CC(=C2)F)F
InChI
InChI=1S/C10H7F2N/c11-8-5-9(12)7-10(6-8)13-3-1-2-4-13/h1-7H
InChIKey
ZFRQRQPGOJWNEJ-UHFFFAOYSA-N
Compound name
1-(3,5-difluorophenyl)pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

179.05466 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.06194 131.6
[M+Na]+ 202.04388 142.0
[M-H]- 178.04738 135.2
[M+NH4]+ 197.08848 152.4
[M+K]+ 218.01782 138.3
[M+H-H2O]+ 162.05192 123.2
[M+HCOO]- 224.05286 154.8
[M+CH3COO]- 238.06851 145.8
[M+Na-2H]- 200.02933 136.8
[M]+ 179.05411 129.3
[M]- 179.05521 129.3
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