CID 2773965

1,3-dibromo-5-fluoro-2-methoxybenzene

Structural Information

Molecular Formula
C7H5Br2FO
SMILES
COC1=C(C=C(C=C1Br)F)Br
InChI
InChI=1S/C7H5Br2FO/c1-11-7-5(8)2-4(10)3-6(7)9/h2-3H,1H3
InChIKey
VFAXMVDRHMXZSH-UHFFFAOYSA-N
Compound name
1,3-dibromo-5-fluoro-2-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

281.8691 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.876376 135.4
[M+Na]+ 304.858318 147.9
[M-H]- 280.861824 141.8
[M+NH4]+ 299.902923 155.5
[M+K]+ 320.832258 132.8
[M+H-H2O]+ 264.866360 143.2
[M+HCOO]- 326.867301 151.8
[M+CH3COO]- 340.882951 201.6
[M+Na-2H]- 302.843766 142.6
[M]+ 281.86855142 169.6
[M]- 281.86964858 169.6
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