CID 23135542

2-bromo-4-methoxy-1-(trifluoromethyl)benzene

Structural Information

Molecular Formula
C8H6BrF3O
SMILES
COC1=CC(=C(C=C1)C(F)(F)F)Br
InChI
InChI=1S/C8H6BrF3O/c1-13-5-2-3-6(7(9)4-5)8(10,11)12/h2-4H,1H3
InChIKey
QLLWMDACMSDONJ-UHFFFAOYSA-N
Compound name
2-bromo-4-methoxy-1-(trifluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

253.95541 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.96269 154.8
[M+Na]+ 276.94463 156.7
[M+NH4]+ 271.98923 157.8
[M+K]+ 292.91857 156.1
[M-H]- 252.94813 151.4
[M+Na-2H]- 274.93008 156.2
[M]+ 253.95486 152.9
[M]- 253.95596 152.9
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