CID 68759187

2-bromo-5-fluoro-4-(trifluoromethyl)aniline

Structural Information

Molecular Formula
C7H4BrF4N
SMILES
C1=C(C(=CC(=C1Br)N)F)C(F)(F)F
InChI
InChI=1S/C7H4BrF4N/c8-4-1-3(7(10,11)12)5(9)2-6(4)13/h1-2H,13H2
InChIKey
HPYWKQKBKNKSDG-UHFFFAOYSA-N
Compound name
2-bromo-5-fluoro-4-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

256.94632 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.95360 146.4
[M+Na]+ 279.93554 160.0
[M-H]- 255.93904 148.1
[M+NH4]+ 274.98014 166.9
[M+K]+ 295.90948 147.4
[M+H-H2O]+ 239.94358 143.4
[M+HCOO]- 301.94452 163.6
[M+CH3COO]- 315.96017 193.5
[M+Na-2H]- 277.92099 151.2
[M]+ 256.94577 158.1
[M]- 256.94687 158.1
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