CID 63627073

2287302-64-9

Structural Information

Molecular Formula
C12H13BrF3N
SMILES
C1CC2=C(CC1NCC(F)(F)F)C=CC(=C2)Br
InChI
InChI=1S/C12H13BrF3N/c13-10-3-1-9-6-11(4-2-8(9)5-10)17-7-12(14,15)16/h1,3,5,11,17H,2,4,6-7H2
InChIKey
UUCCGULODQWUKS-UHFFFAOYSA-N
Compound name
6-bromo-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.01834 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.02562 165.1
[M+Na]+ 330.00756 175.1
[M-H]- 306.01106 167.8
[M+NH4]+ 325.05216 184.5
[M+K]+ 345.98150 162.3
[M+H-H2O]+ 290.01560 162.4
[M+HCOO]- 352.01654 179.5
[M+CH3COO]- 366.03219 202.6
[M+Na-2H]- 327.99301 170.7
[M]+ 307.01779 176.7
[M]- 307.01889 176.7
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.