CID 11460378

3-(1,1,2,2-tetrafluoroethoxy)bromomethylbenzene

Structural Information

Molecular Formula
C9H7BrF4O
SMILES
C1=CC(=CC(=C1)OC(C(F)F)(F)F)CBr
InChI
InChI=1S/C9H7BrF4O/c10-5-6-2-1-3-7(4-6)15-9(13,14)8(11)12/h1-4,8H,5H2
InChIKey
RNJSNLDQQLNOFR-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-3-(1,1,2,2-tetrafluoroethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

285.96164 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.96892 155.1
[M+Na]+ 308.95086 166.7
[M-H]- 284.95436 156.4
[M+NH4]+ 303.99546 174.3
[M+K]+ 324.92480 155.2
[M+H-H2O]+ 268.95890 152.1
[M+HCOO]- 330.95984 170.6
[M+CH3COO]- 344.97549 196.4
[M+Na-2H]- 306.93631 159.8
[M]+ 285.96109 169.3
[M]- 285.96219 169.3
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