CID 10850672

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

Structural Information

Molecular Formula
C7H4BrF3N2O2
SMILES
C1=C(C=C(C(=C1C(F)(F)F)N)[N+](=O)[O-])Br
InChI
InChI=1S/C7H4BrF3N2O2/c8-3-1-4(7(9,10)11)6(12)5(2-3)13(14)15/h1-2H,12H2
InChIKey
JWIAFKYOENFPNQ-UHFFFAOYSA-N
Compound name
4-bromo-2-nitro-6-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

283.94083 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.94811 150.5
[M+Na]+ 306.93005 162.7
[M-H]- 282.93355 153.3
[M+NH4]+ 301.97465 168.9
[M+K]+ 322.90399 146.8
[M+H-H2O]+ 266.93809 151.8
[M+HCOO]- 328.93903 169.8
[M+CH3COO]- 342.95468 191.7
[M+Na-2H]- 304.91550 157.3
[M]+ 283.94028 163.0
[M]- 283.94138 163.0
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