CID 104688094

2-{[4-(difluoromethyl)phenyl]methyl}-2-methylpyrrolidine

Structural Information

Molecular Formula
C13H17F2N
SMILES
CC1(CCCN1)CC2=CC=C(C=C2)C(F)F
InChI
InChI=1S/C13H17F2N/c1-13(7-2-8-16-13)9-10-3-5-11(6-4-10)12(14)15/h3-6,12,16H,2,7-9H2,1H3
InChIKey
ABRJOBFRBRJDLK-UHFFFAOYSA-N
Compound name
2-[[4-(difluoromethyl)phenyl]methyl]-2-methylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.1329 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.140176 150.3
[M+Na]+ 248.122118 156.6
[M-H]- 224.125624 151.2
[M+NH4]+ 243.166723 169.9
[M+K]+ 264.096058 152.3
[M+H-H2O]+ 208.130160 141.8
[M+HCOO]- 270.131101 167.0
[M+CH3COO]- 284.146751 186.6
[M+Na-2H]- 246.107566 151.8
[M]+ 225.13235142 143.4
[M]- 225.13344858 143.4
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.