CID 165949424

5-bromo-1-(trifluoromethyl)-2,3-dihydro-1h-inden-1-amine

Structural Information

Molecular Formula
C10H9BrF3N
SMILES
C1CC(C2=C1C=C(C=C2)Br)(C(F)(F)F)N
InChI
InChI=1S/C10H9BrF3N/c11-7-1-2-8-6(5-7)3-4-9(8,15)10(12,13)14/h1-2,5H,3-4,15H2
InChIKey
SHOZLAQHXUPEKA-UHFFFAOYSA-N
Compound name
5-bromo-1-(trifluoromethyl)-2,3-dihydroinden-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.98706 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.99434 157.1
[M+Na]+ 301.97628 170.0
[M-H]- 277.97978 160.5
[M+NH4]+ 297.02088 181.1
[M+K]+ 317.95022 157.3
[M+H-H2O]+ 261.98432 156.0
[M+HCOO]- 323.98526 173.8
[M+CH3COO]- 338.00091 195.6
[M+Na-2H]- 299.96173 162.7
[M]+ 278.98651 169.6
[M]- 278.98761 169.6
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.