CID 18669052

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

269.95032 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.957596 148.3
[M+Na]+ 292.939538 161.4
[M-H]- 268.943044 151.4
[M+NH4]+ 287.984143 168.7
[M+K]+ 308.913478 150.8
[M+H-H2O]+ 252.947580 146.4
[M+HCOO]- 314.948521 166.4
[M+CH3COO]- 328.964171 192.5
[M+Na-2H]- 290.924986 155.0
[M]+ 269.94977142 165.7
[M]- 269.95086858 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