CID 122164022

7,7-difluoro-1-phenyl-3-azabicyclo[4.1.0]heptane hydrochloride

Structural Information

Molecular Formula
C12H13F2N
SMILES
C1CNCC2(C1C2(F)F)C3=CC=CC=C3
InChI
InChI=1S/C12H13F2N/c13-12(14)10-6-7-15-8-11(10,12)9-4-2-1-3-5-9/h1-5,10,15H,6-8H2
InChIKey
YKJSDHUXOGENKM-UHFFFAOYSA-N
Compound name
7,7-difluoro-1-phenyl-3-azabicyclo[4.1.0]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.10161 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.10889 145.3
[M+Na]+ 232.09083 155.0
[M-H]- 208.09433 148.4
[M+NH4]+ 227.13543 161.9
[M+K]+ 248.06477 151.2
[M+H-H2O]+ 192.09887 137.2
[M+HCOO]- 254.09981 161.0
[M+CH3COO]- 268.11546 156.6
[M+Na-2H]- 230.07628 152.7
[M]+ 209.10106 141.1
[M]- 209.10216 141.1
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.