CID 75480908

3-{[4-(difluoromethyl)phenyl]methyl}pyrrolidine

Structural Information

Molecular Formula
C12H15F2N
SMILES
C1CNCC1CC2=CC=C(C=C2)C(F)F
InChI
InChI=1S/C12H15F2N/c13-12(14)11-3-1-9(2-4-11)7-10-5-6-15-8-10/h1-4,10,12,15H,5-8H2
InChIKey
FBQHGDMSGNUKMU-UHFFFAOYSA-N
Compound name
3-[[4-(difluoromethyl)phenyl]methyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.11725 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.124526 146.0
[M+Na]+ 234.106468 151.7
[M-H]- 210.109974 146.7
[M+NH4]+ 229.151073 164.1
[M+K]+ 250.080408 147.4
[M+H-H2O]+ 194.114510 137.1
[M+HCOO]- 256.115451 163.0
[M+CH3COO]- 270.131101 184.1
[M+Na-2H]- 232.091916 146.9
[M]+ 211.11670142 138.5
[M]- 211.11779858 138.5
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

No patent data available for this compound.