CID 15582614

86256-50-0

Structural Information

Molecular Formula
C8H5BrF4O
SMILES
C1=CC(=C(C=C1CBr)OC(F)(F)F)F
InChI
InChI=1S/C8H5BrF4O/c9-4-5-1-2-6(10)7(3-5)14-8(11,12)13/h1-3H,4H2
InChIKey
FSUYOYNASUIPRL-UHFFFAOYSA-N
Compound name
4-(bromomethyl)-1-fluoro-2-(trifluoromethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

271.94598 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.95326 149.5
[M+Na]+ 294.93520 162.8
[M-H]- 270.93870 151.4
[M+NH4]+ 289.97980 169.8
[M+K]+ 310.90914 151.2
[M+H-H2O]+ 254.94324 146.9
[M+HCOO]- 316.94418 166.4
[M+CH3COO]- 330.95983 193.3
[M+Na-2H]- 292.92065 155.5
[M]+ 271.94543 164.4
[M]- 271.94653 164.4
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