CID 12158132

3-bromo-2-(trifluoromethyl)aniline

Structural Information

Molecular Formula
C7H5BrF3N
SMILES
C1=CC(=C(C(=C1)Br)C(F)(F)F)N
InChI
InChI=1S/C7H5BrF3N/c8-4-2-1-3-5(12)6(4)7(9,10)11/h1-3H,12H2
InChIKey
DAXMSIHFYZSWNH-UHFFFAOYSA-N
Compound name
3-bromo-2-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

238.95575 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.963026 142.8
[M+Na]+ 261.944968 155.6
[M-H]- 237.948474 145.5
[M+NH4]+ 256.989573 163.8
[M+K]+ 277.918908 143.4
[M+H-H2O]+ 221.953010 140.7
[M+HCOO]- 283.953951 161.1
[M+CH3COO]- 297.969601 189.7
[M+Na-2H]- 259.930416 149.0
[M]+ 238.95520142 155.4
[M]- 238.95629858 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

patents stripe