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 148.3
[M+Na]+ 292.93954 161.4
[M-H]- 268.94304 151.4
[M+NH4]+ 287.98414 168.7
[M+K]+ 308.91348 150.8
[M+H-H2O]+ 252.94758 146.4
[M+HCOO]- 314.94852 166.4
[M+CH3COO]- 328.96417 192.5
[M+Na-2H]- 290.92499 155.0
[M]+ 269.94977 165.7
[M]- 269.95087 165.7
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