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

55
Patents

271.94598 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.95326 146.0
[M+Na]+ 294.93520 161.3
[M-H]- 270.93870 148.6
[M+NH4]+ 289.97980 167.0
[M+K]+ 310.90914 149.4
[M+H-H2O]+ 254.94324 143.4
[M+HCOO]- 316.94418 164.3
[M+CH3COO]- 330.95983 196.9
[M+Na-2H]- 292.92065 149.6
[M]+ 271.94543 162.4
[M]- 271.94653 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