CID 58335726

5-(2,5-difluorophenyl)-3,4-dihydro-2h-pyrrole

Structural Information

Molecular Formula
C10H9F2N
SMILES
C1CC(=NC1)C2=C(C=CC(=C2)F)F
InChI
InChI=1S/C10H9F2N/c11-7-3-4-9(12)8(6-7)10-2-1-5-13-10/h3-4,6H,1-2,5H2
InChIKey
QIZHVCUPPAMGIW-UHFFFAOYSA-N
Compound name
5-(2,5-difluorophenyl)-3,4-dihydro-2H-pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

171
Patents

181.07031 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.07759 133.6
[M+Na]+ 204.05953 142.9
[M-H]- 180.06303 136.7
[M+NH4]+ 199.10413 154.1
[M+K]+ 220.03347 139.4
[M+H-H2O]+ 164.06757 125.0
[M+HCOO]- 226.06851 155.3
[M+CH3COO]- 240.08416 180.6
[M+Na-2H]- 202.04498 137.7
[M]+ 181.06976 129.7
[M]- 181.07086 129.7
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