CID 53414034

1-bromo-2-chloro-4-(trifluoromethoxy)benzene

Structural Information

Molecular Formula
C7H3BrClF3O
SMILES
C1=CC(=C(C=C1OC(F)(F)F)Cl)Br
InChI
InChI=1S/C7H3BrClF3O/c8-5-2-1-4(3-6(5)9)13-7(10,11)12/h1-3H
InChIKey
RRRFVMOJVRRZMM-UHFFFAOYSA-N
Compound name
1-bromo-2-chloro-4-(trifluoromethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

87
Patents

273.9008 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.90808 144.4
[M+Na]+ 296.89002 159.1
[M-H]- 272.89352 147.7
[M+NH4]+ 291.93462 165.7
[M+K]+ 312.86396 146.1
[M+H-H2O]+ 256.89806 143.7
[M+HCOO]- 318.89900 158.4
[M+CH3COO]- 332.91465 191.4
[M+Na-2H]- 294.87547 151.5
[M]+ 273.90025 162.2
[M]- 273.90135 162.2
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