CID 77128631

1-(5-bromo-2-methylphenyl)-2,2,2-trifluoroethan-1-amine

Structural Information

Molecular Formula
C9H9BrF3N
SMILES
CC1=C(C=C(C=C1)Br)C(C(F)(F)F)N
InChI
InChI=1S/C9H9BrF3N/c1-5-2-3-6(10)4-7(5)8(14)9(11,12)13/h2-4,8H,14H2,1H3
InChIKey
SXQFUCDESAGYOW-UHFFFAOYSA-N
Compound name
1-(5-bromo-2-methylphenyl)-2,2,2-trifluoroethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.98706 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.99434 157.5
[M+Na]+ 289.97628 158.1
[M+NH4]+ 285.02088 160.3
[M+K]+ 305.95022 158.2
[M-H]- 265.97978 154.4
[M+Na-2H]- 287.96173 158.3
[M]+ 266.98651 155.4
[M]- 266.98761 155.4
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.