CID 125462139

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

Structural Information

Molecular Formula
C7H3BrF3NO3
SMILES
C1=C(C=C(C(=C1C(F)(F)F)O)[N+](=O)[O-])Br
InChI
InChI=1S/C7H3BrF3NO3/c8-3-1-4(7(9,10)11)6(13)5(2-3)12(14)15/h1-2,13H
InChIKey
AYVFNKSPGZOIPA-UHFFFAOYSA-N
Compound name
4-bromo-2-nitro-6-(trifluoromethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

284.92484 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.93212 149.5
[M+Na]+ 307.91406 162.2
[M-H]- 283.91756 151.7
[M+NH4]+ 302.95866 168.0
[M+K]+ 323.88800 146.6
[M+H-H2O]+ 267.92210 151.7
[M+HCOO]- 329.92304 167.4
[M+CH3COO]- 343.93869 187.3
[M+Na-2H]- 305.89951 156.8
[M]+ 284.92429 163.4
[M]- 284.92539 163.4
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