CID 165459503

1-bromo-4-(1,1,2-trifluoroethoxy)benzene

Structural Information

Molecular Formula
C8H6BrF3O
SMILES
C1=CC(=CC=C1OC(CF)(F)F)Br
InChI
InChI=1S/C8H6BrF3O/c9-6-1-3-7(4-2-6)13-8(11,12)5-10/h1-4H,5H2
InChIKey
QJNMBHXOQHLBBU-UHFFFAOYSA-N
Compound name
1-bromo-4-(1,1,2-trifluoroethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.95541 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.96269 146.0
[M+Na]+ 276.94463 158.3
[M-H]- 252.94813 148.8
[M+NH4]+ 271.98923 166.7
[M+K]+ 292.91857 147.1
[M+H-H2O]+ 236.95267 144.2
[M+HCOO]- 298.95361 163.9
[M+CH3COO]- 312.96926 190.2
[M+Na-2H]- 274.93008 153.3
[M]+ 253.95486 161.8
[M]- 253.95596 161.8
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.