CID 152114140

2-[4-bromo-3-(trifluoromethyl)phenyl]ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C9H9BrF3N
SMILES
C1=CC(=C(C=C1CCN)C(F)(F)F)Br
InChI
InChI=1S/C9H9BrF3N/c10-8-2-1-6(3-4-14)5-7(8)9(11,12)13/h1-2,5H,3-4,14H2
InChIKey
VDVUDLQUUSCUTD-UHFFFAOYSA-N
Compound name
2-[4-bromo-3-(trifluoromethyl)phenyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

266.98706 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.994336 152.2
[M+Na]+ 289.976278 164.2
[M-H]- 265.979784 154.5
[M+NH4]+ 285.020883 172.2
[M+K]+ 305.950218 151.5
[M+H-H2O]+ 249.984320 149.7
[M+HCOO]- 311.985261 169.8
[M+CH3COO]- 326.000911 195.4
[M+Na-2H]- 287.961726 157.3
[M]+ 266.98651142 165.5
[M]- 266.98760858 165.5
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