CID 137942805

1-bromo-4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)benzene

Structural Information

Molecular Formula
C10H7BrF6O
SMILES
COC(C1=CC=C(C=C1)Br)(C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C10H7BrF6O/c1-18-8(9(12,13)14,10(15,16)17)6-2-4-7(11)5-3-6/h2-5H,1H3
InChIKey
CINHYUUUEMKKAV-UHFFFAOYSA-N
Compound name
1-bromo-4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

335.95844 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.96572 184.5
[M+Na]+ 358.94766 183.6
[M+NH4]+ 353.99226 184.5
[M+K]+ 374.92160 182.9
[M-H]- 334.95116 177.6
[M+Na-2H]- 356.93311 182.6
[M]+ 335.95789 181.4
[M]- 335.95899 181.4
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