CID 10515152

5-bromo-2,3-diaminobenzotrifluoride

Structural Information

Molecular Formula
C7H6BrF3N2
SMILES
C1=C(C=C(C(=C1C(F)(F)F)N)N)Br
InChI
InChI=1S/C7H6BrF3N2/c8-3-1-4(7(9,10)11)6(13)5(12)2-3/h1-2H,12-13H2
InChIKey
PVHRHJXBSIOEGL-UHFFFAOYSA-N
Compound name
5-bromo-3-(trifluoromethyl)benzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

253.96664 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.973916 147.0
[M+Na]+ 276.955858 159.6
[M-H]- 252.959364 149.3
[M+NH4]+ 272.000463 166.9
[M+K]+ 292.929798 146.7
[M+H-H2O]+ 236.963900 144.0
[M+HCOO]- 298.964841 165.4
[M+CH3COO]- 312.980491 194.9
[M+Na-2H]- 274.941306 151.6
[M]+ 253.96609142 158.1
[M]- 253.96718858 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