CID 75355931

1-bromo-3-(2-bromoethoxy)-5-fluorobenzene

Structural Information

Molecular Formula
C8H7Br2FO
SMILES
C1=C(C=C(C=C1F)Br)OCCBr
InChI
InChI=1S/C8H7Br2FO/c9-1-2-12-8-4-6(10)3-7(11)5-8/h3-5H,1-2H2
InChIKey
JRBUQOPWQQLQPD-UHFFFAOYSA-N
Compound name
1-bromo-3-(2-bromoethoxy)-5-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.88477 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.89205 140.4
[M+Na]+ 318.87399 151.9
[M-H]- 294.87749 146.3
[M+NH4]+ 313.91859 159.9
[M+K]+ 334.84793 136.6
[M+H-H2O]+ 278.88203 148.0
[M+HCOO]- 340.88297 156.5
[M+CH3COO]- 354.89862 203.0
[M+Na-2H]- 316.85944 147.6
[M]+ 295.88422 174.6
[M]- 295.88532 174.6
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

No patent data available for this compound.