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]+ 176.124526 138.3
[M+Na]+ 198.106468 143.5
[M-H]- 174.109974 136.2
[M+NH4]+ 193.151073 159.1
[M+K]+ 214.080408 140.2
[M+H-H2O]+ 158.114510 130.5
[M+HCOO]- 220.115451 150.5
[M+CH3COO]- 234.131101 176.7
[M+Na-2H]- 196.091916 143.0
[M]+ 175.11670142 126.7
[M]- 175.11779858 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.