CID 17750869

1161497-23-9

Structural Information

Molecular Formula
C7H6BrFO
SMILES
COC1=CC(=C(C=C1)F)Br
InChI
InChI=1S/C7H6BrFO/c1-10-5-2-3-7(9)6(8)4-5/h2-4H,1H3
InChIKey
LYIGJBQYDRJPIR-UHFFFAOYSA-N
Compound name
2-bromo-1-fluoro-4-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

234
Patents

203.9586 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.96588 131.3
[M+Na]+ 226.94782 144.5
[M-H]- 202.95132 137.1
[M+NH4]+ 221.99242 154.5
[M+K]+ 242.92176 134.2
[M+H-H2O]+ 186.95586 131.4
[M+HCOO]- 248.95680 153.2
[M+CH3COO]- 262.97245 182.9
[M+Na-2H]- 224.93327 139.6
[M]+ 203.95805 150.1
[M]- 203.95915 150.1
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