CID 2775276

4910-40-1

Structural Information

Molecular Formula
C8H5BrF4O
SMILES
COC1=C(C(=C(C(=C1F)F)CBr)F)F
InChI
InChI=1S/C8H5BrF4O/c1-14-8-6(12)4(10)3(2-9)5(11)7(8)13/h2H2,1H3
InChIKey
SNPXIYPEWUELMV-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-2,3,5,6-tetrafluoro-4-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

271.94598 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.953256 146.0
[M+Na]+ 294.935198 161.3
[M-H]- 270.938704 148.6
[M+NH4]+ 289.979803 167.0
[M+K]+ 310.909138 149.4
[M+H-H2O]+ 254.943240 143.4
[M+HCOO]- 316.944181 164.3
[M+CH3COO]- 330.959831 196.9
[M+Na-2H]- 292.920646 149.6
[M]+ 271.94543142 162.4
[M]- 271.94652858 162.4
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