CID 64686804

6,8-difluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline hydrochloride

Structural Information

Molecular Formula
C10H11F2N
SMILES
CC1C2=C(CCN1)C=C(C=C2F)F
InChI
InChI=1S/C10H11F2N/c1-6-10-7(2-3-13-6)4-8(11)5-9(10)12/h4-6,13H,2-3H2,1H3
InChIKey
NHIPEBANBCDIDE-UHFFFAOYSA-N
Compound name
6,8-difluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

183.08595 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.093226 136.2
[M+Na]+ 206.075168 145.2
[M-H]- 182.078674 135.5
[M+NH4]+ 201.119773 155.7
[M+K]+ 222.049108 140.6
[M+H-H2O]+ 166.083210 128.4
[M+HCOO]- 228.084151 152.5
[M+CH3COO]- 242.099801 181.3
[M+Na-2H]- 204.060616 141.3
[M]+ 183.08540142 129.9
[M]- 183.08649858 129.9
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