CID 73012514

2-bromo-3-(trifluoromethoxy)aniline

Structural Information

Molecular Formula
C7H5BrF3NO
SMILES
C1=CC(=C(C(=C1)OC(F)(F)F)Br)N
InChI
InChI=1S/C7H5BrF3NO/c8-6-4(12)2-1-3-5(6)13-7(9,10)11/h1-3H,12H2
InChIKey
ONUUWTNXYMTPON-UHFFFAOYSA-N
Compound name
2-bromo-3-(trifluoromethoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

254.95065 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.957926 145.6
[M+Na]+ 277.939868 158.2
[M-H]- 253.943374 148.2
[M+NH4]+ 272.984473 165.9
[M+K]+ 293.913808 146.5
[M+H-H2O]+ 237.947910 143.2
[M+HCOO]- 299.948851 164.0
[M+CH3COO]- 313.964501 191.6
[M+Na-2H]- 275.925316 151.8
[M]+ 254.95010142 159.5
[M]- 254.95119858 159.5
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