CID 130569985

2-bromo-1,3-dimethyl-5-(trifluoromethoxy)benzene

Structural Information

Molecular Formula
C9H8BrF3O
SMILES
CC1=CC(=CC(=C1Br)C)OC(F)(F)F
InChI
InChI=1S/C9H8BrF3O/c1-5-3-7(14-9(11,12)13)4-6(2)8(5)10/h3-4H,1-2H3
InChIKey
JUTLTPAGIWZFJD-UHFFFAOYSA-N
Compound name
2-bromo-1,3-dimethyl-5-(trifluoromethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

267.97107 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.978346 149.4
[M+Na]+ 290.960288 163.1
[M-H]- 266.963794 152.8
[M+NH4]+ 286.004893 170.2
[M+K]+ 306.934228 151.7
[M+H-H2O]+ 250.968330 147.7
[M+HCOO]- 312.969271 166.9
[M+CH3COO]- 326.984921 194.5
[M+Na-2H]- 288.945736 154.9
[M]+ 267.97052142 166.1
[M]- 267.97161858 166.1
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

patents stripe