CID 129961208

1261507-99-6

Structural Information

Molecular Formula
C9H8BrF3O
SMILES
CC1=CC(=C(C=C1)OC(F)(F)F)CBr
InChI
InChI=1S/C9H8BrF3O/c1-6-2-3-8(7(4-6)5-10)14-9(11,12)13/h2-4H,5H2,1H3
InChIKey
DOXFRYDDFYEEMQ-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-4-methyl-1-(trifluoromethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.97107 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.97835 159.0
[M+Na]+ 290.96029 160.7
[M+NH4]+ 286.00489 161.9
[M+K]+ 306.93423 160.0
[M-H]- 266.96379 155.6
[M+Na-2H]- 288.94574 160.2
[M]+ 267.97052 157.1
[M]- 267.97162 157.1
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.