CID 82705076

4-(but-3-en-1-yloxy)-1-chloro-2-fluorobenzene

Structural Information

Molecular Formula
C10H10ClFO
SMILES
C=CCCOC1=CC(=C(C=C1)Cl)F
InChI
InChI=1S/C10H10ClFO/c1-2-3-6-13-8-4-5-9(11)10(12)7-8/h2,4-5,7H,1,3,6H2
InChIKey
BJGGKSHMUAZPNW-UHFFFAOYSA-N
Compound name
4-but-3-enoxy-1-chloro-2-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.04042 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.04770 137.5
[M+Na]+ 223.02964 147.5
[M-H]- 199.03314 140.0
[M+NH4]+ 218.07424 158.1
[M+K]+ 239.00358 142.9
[M+H-H2O]+ 183.03768 132.1
[M+HCOO]- 245.03862 156.6
[M+CH3COO]- 259.05427 184.3
[M+Na-2H]- 221.01509 142.9
[M]+ 200.03987 140.2
[M]- 200.04097 140.2
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

No patent data available for this compound.