CID 15219533

115467-07-7

Structural Information

Molecular Formula
C7H2BrF5O
SMILES
C1=C(C=C(C(=C1F)OC(F)(F)F)F)Br
InChI
InChI=1S/C7H2BrF5O/c8-3-1-4(9)6(5(10)2-3)14-7(11,12)13/h1-2H
InChIKey
ORHCJZZKAUAZDR-UHFFFAOYSA-N
Compound name
5-bromo-1,3-difluoro-2-(trifluoromethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

123
Patents

275.92093 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.92821 148.2
[M+Na]+ 298.91015 162.7
[M-H]- 274.91365 149.3
[M+NH4]+ 293.95475 168.4
[M+K]+ 314.88409 150.9
[M+H-H2O]+ 258.91819 145.0
[M+HCOO]- 320.91913 164.3
[M+CH3COO]- 334.93478 194.3
[M+Na-2H]- 296.89560 153.3
[M]+ 275.92038 161.7
[M]- 275.92148 161.7
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