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

72
Patents

251.93529 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.94257 140.6
[M+Na]+ 274.92451 154.5
[M-H]- 250.92801 146.1
[M+NH4]+ 269.96911 162.8
[M+K]+ 290.89845 141.8
[M+H-H2O]+ 234.93255 141.2
[M+HCOO]- 296.93349 157.8
[M+CH3COO]- 310.94914 189.3
[M+Na-2H]- 272.90996 148.1
[M]+ 251.93474 161.6
[M]- 251.93584 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