CID 2780137

8-chloromethyl-6-fluoro-4h-benzo[1,3]dioxine

Structural Information

Molecular Formula
C9H8ClFO2
SMILES
C1C2=C(C(=CC(=C2)F)CCl)OCO1
InChI
InChI=1S/C9H8ClFO2/c10-3-6-1-8(11)2-7-4-12-5-13-9(6)7/h1-2H,3-5H2
InChIKey
FMONGDHUPLQOCP-UHFFFAOYSA-N
Compound name
8-(chloromethyl)-6-fluoro-4H-1,3-benzodioxine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

202.01968 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.02696 136.8
[M+Na]+ 225.00890 146.5
[M-H]- 201.01240 141.3
[M+NH4]+ 220.05350 155.6
[M+K]+ 240.98284 145.0
[M+H-H2O]+ 185.01694 131.1
[M+HCOO]- 247.01788 151.4
[M+CH3COO]- 261.03353 150.6
[M+Na-2H]- 222.99435 145.5
[M]+ 202.01913 138.5
[M]- 202.02023 138.5
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