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 152.6
[M+Na]+ 289.97628 164.2
[M-H]- 265.97978 154.9
[M+NH4]+ 285.02088 172.4
[M+K]+ 305.95022 152.0
[M+H-H2O]+ 249.98432 150.1
[M+HCOO]- 311.98526 169.2
[M+CH3COO]- 326.00091 196.2
[M+Na-2H]- 287.96173 156.5
[M]+ 266.98651 165.2
[M]- 266.98761 165.2
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.