CID 17750724

886502-56-3

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.96597 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.97325 153.1
[M+Na]+ 306.95519 165.8
[M-H]- 282.95869 156.0
[M+NH4]+ 301.99979 173.0
[M+K]+ 322.92913 154.9
[M+H-H2O]+ 266.96323 151.0
[M+HCOO]- 328.96417 170.8
[M+CH3COO]- 342.97982 195.3
[M+Na-2H]- 304.94064 159.2
[M]+ 283.96542 170.8
[M]- 283.96652 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

No patent data available for this compound.