CID 130139728

1-bromo-4-(chloromethyl)-3-fluoro-2-methoxybenzene

Structural Information

Molecular Formula
C8H7BrClFO
SMILES
COC1=C(C=CC(=C1F)CCl)Br
InChI
InChI=1S/C8H7BrClFO/c1-12-8-6(9)3-2-5(4-10)7(8)11/h2-3H,4H2,1H3
InChIKey
DOOBWWRUFMCLDE-UHFFFAOYSA-N
Compound name
1-bromo-4-(chloromethyl)-3-fluoro-2-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

251.93529 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.942566 139.9
[M+Na]+ 274.924508 154.6
[M-H]- 250.928014 145.7
[M+NH4]+ 269.969113 162.4
[M+K]+ 290.898448 141.9
[M+H-H2O]+ 234.932550 140.7
[M+HCOO]- 296.933491 157.1
[M+CH3COO]- 310.949141 190.3
[M+Na-2H]- 272.909956 146.7
[M]+ 251.93474142 161.2
[M]- 251.93583858 161.2
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