CID 121209360

7,7-difluoro-6-phenyl-3-azabicyclo[4.1.0]heptane hydrochloride

Structural Information

Molecular Formula
C12H13F2N
SMILES
C1CNCC2C1(C2(F)F)C3=CC=CC=C3
InChI
InChI=1S/C12H13F2N/c13-12(14)10-8-15-7-6-11(10,12)9-4-2-1-3-5-9/h1-5,10,15H,6-8H2
InChIKey
NNOUYJNHDRSQMC-UHFFFAOYSA-N
Compound name
7,7-difluoro-6-phenyl-3-azabicyclo[4.1.0]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

209.10161 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.108886 145.3
[M+Na]+ 232.090828 155.0
[M-H]- 208.094334 148.4
[M+NH4]+ 227.135433 161.9
[M+K]+ 248.064768 151.2
[M+H-H2O]+ 192.098870 137.2
[M+HCOO]- 254.099811 161.0
[M+CH3COO]- 268.115461 156.6
[M+Na-2H]- 230.076276 152.7
[M]+ 209.10106142 141.1
[M]- 209.10215858 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

patents stripe