CID 165947323

7,7-difluoro-decahydroisoquinoline hydrochloride

Structural Information

Molecular Formula
C9H15F2N
SMILES
C1CC(CC2C1CCNC2)(F)F
InChI
InChI=1S/C9H15F2N/c10-9(11)3-1-7-2-4-12-6-8(7)5-9/h7-8,12H,1-6H2
InChIKey
RWWBARAFFJQUGW-UHFFFAOYSA-N
Compound name
7,7-difluoro-2,3,4,4a,5,6,8,8a-octahydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.11725 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.12453 138.3
[M+Na]+ 198.10647 143.5
[M-H]- 174.10997 136.2
[M+NH4]+ 193.15107 159.1
[M+K]+ 214.08041 140.2
[M+H-H2O]+ 158.11451 130.5
[M+HCOO]- 220.11545 150.5
[M+CH3COO]- 234.13110 176.7
[M+Na-2H]- 196.09192 143.0
[M]+ 175.11670 126.7
[M]- 175.11780 126.7
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.