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

28
Patents

271.94598 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.953256 149.5
[M+Na]+ 294.935198 162.8
[M-H]- 270.938704 151.4
[M+NH4]+ 289.979803 169.8
[M+K]+ 310.909138 151.2
[M+H-H2O]+ 254.943240 146.9
[M+HCOO]- 316.944181 166.4
[M+CH3COO]- 330.959831 193.3
[M+Na-2H]- 292.920646 155.5
[M]+ 271.94543142 164.4
[M]- 271.94652858 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