CID 2773260

5-bromo-1-chloro-3-fluoro-2-methoxybenzene

Structural Information

Molecular Formula
C7H5BrClFO
SMILES
COC1=C(C=C(C=C1Cl)Br)F
InChI
InChI=1S/C7H5BrClFO/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3H,1H3
InChIKey
IKWHDHGNXXVBHZ-UHFFFAOYSA-N
Compound name
5-bromo-1-chloro-3-fluoro-2-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

237.91963 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.926906 135.1
[M+Na]+ 260.908848 150.2
[M-H]- 236.912354 141.1
[M+NH4]+ 255.953453 158.1
[M+K]+ 276.882788 137.8
[M+H-H2O]+ 220.916890 136.1
[M+HCOO]- 282.917831 152.6
[M+CH3COO]- 296.933481 187.5
[M+Na-2H]- 258.894296 142.5
[M]+ 237.91908142 156.1
[M]- 237.92017858 156.1
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