CID 5005442

2-methoxy-4-(trifluoromethoxy)benzyl bromide

Structural Information

Molecular Formula
C9H8BrF3O2
SMILES
COC1=C(C=CC(=C1)OC(F)(F)F)CBr
InChI
InChI=1S/C9H8BrF3O2/c1-14-8-4-7(15-9(11,12)13)3-2-6(8)5-10/h2-4H,5H2,1H3
InChIKey
JNWHGFGOMOVIMV-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-2-methoxy-4-(trifluoromethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

283.96597 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.973246 153.1
[M+Na]+ 306.955188 165.8
[M-H]- 282.958694 156.0
[M+NH4]+ 301.999793 173.0
[M+K]+ 322.929128 154.9
[M+H-H2O]+ 266.963230 151.0
[M+HCOO]- 328.964171 170.8
[M+CH3COO]- 342.979821 195.3
[M+Na-2H]- 304.940636 159.2
[M]+ 283.96542142 170.8
[M]- 283.96651858 170.8
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