CID 11460378

1-(bromomethyl)-3-(1,1,2,2-tetrafluoroethoxy)benzene

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

85
Patents

285.96164 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.968916 155.1
[M+Na]+ 308.950858 166.7
[M-H]- 284.954364 156.4
[M+NH4]+ 303.995463 174.3
[M+K]+ 324.924798 155.2
[M+H-H2O]+ 268.958900 152.1
[M+HCOO]- 330.959841 170.6
[M+CH3COO]- 344.975491 196.4
[M+Na-2H]- 306.936306 159.8
[M]+ 285.96109142 169.3
[M]- 285.96218858 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