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]+ 238.92691 135.1
[M+Na]+ 260.90885 150.2
[M-H]- 236.91235 141.1
[M+NH4]+ 255.95345 158.1
[M+K]+ 276.88279 137.8
[M+H-H2O]+ 220.91689 136.1
[M+HCOO]- 282.91783 152.6
[M+CH3COO]- 296.93348 187.5
[M+Na-2H]- 258.89430 142.5
[M]+ 237.91908 156.1
[M]- 237.92018 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