CID 75360926

4-(2-bromoethoxy)-1-chloro-2-fluorobenzene

Structural Information

Molecular Formula
C8H7BrClFO
SMILES
C1=CC(=C(C=C1OCCBr)F)Cl
InChI
InChI=1S/C8H7BrClFO/c9-3-4-12-6-1-2-7(10)8(11)5-6/h1-2,5H,3-4H2
InChIKey
ZGQWGUISDHQVHM-UHFFFAOYSA-N
Compound name
4-(2-bromoethoxy)-1-chloro-2-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

251.93529 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.942566 140.6
[M+Na]+ 274.924508 154.5
[M-H]- 250.928014 146.1
[M+NH4]+ 269.969113 162.8
[M+K]+ 290.898448 141.8
[M+H-H2O]+ 234.932550 141.2
[M+HCOO]- 296.933491 157.8
[M+CH3COO]- 310.949141 189.3
[M+Na-2H]- 272.909956 148.1
[M]+ 251.93474142 161.6
[M]- 251.93583858 161.6
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