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]+ 268.97835 149.4
[M+Na]+ 290.96029 163.1
[M-H]- 266.96379 152.8
[M+NH4]+ 286.00489 170.2
[M+K]+ 306.93423 151.7
[M+H-H2O]+ 250.96833 147.7
[M+HCOO]- 312.96927 166.9
[M+CH3COO]- 326.98492 194.5
[M+Na-2H]- 288.94574 154.9
[M]+ 267.97052 166.1
[M]- 267.97162 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