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]+ 226.14018 150.3
[M+Na]+ 248.12212 156.6
[M-H]- 224.12562 151.2
[M+NH4]+ 243.16672 169.9
[M+K]+ 264.09606 152.3
[M+H-H2O]+ 208.13016 141.8
[M+HCOO]- 270.13110 167.0
[M+CH3COO]- 284.14675 186.6
[M+Na-2H]- 246.10757 151.8
[M]+ 225.13235 143.4
[M]- 225.13345 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.