CID 26985113

1-bromo-2-methoxy-4-(trifluoromethoxy)benzene

Structural Information

Molecular Formula
C8H6BrF3O2
SMILES
COC1=C(C=CC(=C1)OC(F)(F)F)Br
InChI
InChI=1S/C8H6BrF3O2/c1-13-7-4-5(2-3-6(7)9)14-8(10,11)12/h2-4H,1H3
InChIKey
XUQRLMCZVKFXFX-UHFFFAOYSA-N
Compound name
1-bromo-2-methoxy-4-(trifluoromethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

269.95032 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.95760 157.8
[M+Na]+ 292.93954 159.3
[M+NH4]+ 287.98414 160.4
[M+K]+ 308.91348 159.2
[M-H]- 268.94304 154.1
[M+Na-2H]- 290.92499 158.9
[M]+ 269.94977 155.7
[M]- 269.95087 155.7
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