CID 3688569

886500-59-0

Structural Information

Molecular Formula
C9H8BrF3O
SMILES
COC1=C(C=CC(=C1)C(F)(F)F)CBr
InChI
InChI=1S/C9H8BrF3O/c1-14-8-4-7(9(11,12)13)3-2-6(8)5-10/h2-4H,5H2,1H3
InChIKey
WWAGWLZAZFSJRH-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-2-methoxy-4-(trifluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

267.97107 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.978346 150.2
[M+Na]+ 290.960288 163.1
[M-H]- 266.963794 153.2
[M+NH4]+ 286.004893 170.8
[M+K]+ 306.934228 151.7
[M+H-H2O]+ 250.968330 148.4
[M+HCOO]- 312.969271 167.8
[M+CH3COO]- 326.984921 193.4
[M+Na-2H]- 288.945736 156.3
[M]+ 267.97052142 166.6
[M]- 267.97161858 166.6
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