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

2
Patents

254.95065 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.95793 145.6
[M+Na]+ 277.93987 158.2
[M-H]- 253.94337 148.2
[M+NH4]+ 272.98447 165.9
[M+K]+ 293.91381 146.5
[M+H-H2O]+ 237.94791 143.2
[M+HCOO]- 299.94885 164.0
[M+CH3COO]- 313.96450 191.6
[M+Na-2H]- 275.92532 151.8
[M]+ 254.95010 159.5
[M]- 254.95120 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