CID 154577102

3-[4-(chloromethyl)phenyl]-3-fluorooxetane

Structural Information

Molecular Formula
C10H10ClFO
SMILES
C1C(CO1)(C2=CC=C(C=C2)CCl)F
InChI
InChI=1S/C10H10ClFO/c11-5-8-1-3-9(4-2-8)10(12)6-13-7-10/h1-4H,5-7H2
InChIKey
VTWGNIOSHIDBOM-UHFFFAOYSA-N
Compound name
3-[4-(chloromethyl)phenyl]-3-fluorooxetane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.04042 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.04770 131.1
[M+Na]+ 223.02964 139.7
[M-H]- 199.03314 137.3
[M+NH4]+ 218.07424 145.7
[M+K]+ 239.00358 139.7
[M+H-H2O]+ 183.03768 121.3
[M+HCOO]- 245.03862 147.8
[M+CH3COO]- 259.05427 185.0
[M+Na-2H]- 221.01509 139.3
[M]+ 200.03987 140.8
[M]- 200.04097 140.8
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.