CID 737213

2-amino-3,5-dibromobenzotrifluoride

Structural Information

Molecular Formula
C7H4Br2F3N
SMILES
C1=C(C=C(C(=C1C(F)(F)F)N)Br)Br
InChI
InChI=1S/C7H4Br2F3N/c8-3-1-4(7(10,11)12)6(13)5(9)2-3/h1-2H,13H2
InChIKey
ZYBKXMTWWFTYKN-UHFFFAOYSA-N
Compound name
2,4-dibromo-6-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

316.86627 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.87355 151.3
[M+Na]+ 339.85549 163.3
[M-H]- 315.85899 155.0
[M+NH4]+ 334.90009 169.5
[M+K]+ 355.82943 146.2
[M+H-H2O]+ 299.86353 156.7
[M+HCOO]- 361.86447 164.5
[M+CH3COO]- 375.88012 207.1
[M+Na-2H]- 337.84094 156.1
[M]+ 316.86572 180.2
[M]- 316.86682 180.2
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