CID 16218277

2-bromo-4-chloro-6-(trifluoromethyl)aniline

Structural Information

Molecular Formula
C7H4BrClF3N
SMILES
C1=C(C=C(C(=C1C(F)(F)F)N)Br)Cl
InChI
InChI=1S/C7H4BrClF3N/c8-5-2-3(9)1-4(6(5)13)7(10,11)12/h1-2H,13H2
InChIKey
BSWOSDJUIAUNLF-UHFFFAOYSA-N
Compound name
2-bromo-4-chloro-6-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

272.91678 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.92406 146.9
[M+Na]+ 295.90600 161.5
[M-H]- 271.90950 149.8
[M+NH4]+ 290.95060 167.8
[M+K]+ 311.87994 147.2
[M+H-H2O]+ 255.91404 145.7
[M+HCOO]- 317.91498 160.8
[M+CH3COO]- 331.93063 194.4
[M+Na-2H]- 293.89145 152.2
[M]+ 272.91623 161.8
[M]- 272.91733 161.8
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