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]+ 212.12453 146.0
[M+Na]+ 234.10647 151.7
[M-H]- 210.10997 146.7
[M+NH4]+ 229.15107 164.1
[M+K]+ 250.08041 147.4
[M+H-H2O]+ 194.11451 137.1
[M+HCOO]- 256.11545 163.0
[M+CH3COO]- 270.13110 184.1
[M+Na-2H]- 232.09192 146.9
[M]+ 211.11670 138.5
[M]- 211.11780 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.