CID 62354355

2248351-76-8

Structural Information

Molecular Formula
C11H13F2N
SMILES
CC1C(CCN1)C2=CC(=C(C=C2)F)F
InChI
InChI=1S/C11H13F2N/c1-7-9(4-5-14-7)8-2-3-10(12)11(13)6-8/h2-3,6-7,9,14H,4-5H2,1H3
InChIKey
OTMSVRWOJMNAQZ-UHFFFAOYSA-N
Compound name
3-(3,4-difluorophenyl)-2-methylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.10161 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.10889 140.5
[M+Na]+ 220.09083 148.9
[M-H]- 196.09433 142.1
[M+NH4]+ 215.13543 160.0
[M+K]+ 236.06477 144.4
[M+H-H2O]+ 180.09887 132.3
[M+HCOO]- 242.09981 158.9
[M+CH3COO]- 256.11546 182.4
[M+Na-2H]- 218.07628 141.9
[M]+ 197.10106 134.1
[M]- 197.10216 134.1
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.