CID 145913056

2378501-54-1

Structural Information

Molecular Formula
C8H12FIO2
SMILES
CCOC(=O)C1CC(C1)(CI)F
InChI
InChI=1S/C8H12FIO2/c1-2-12-7(11)6-3-8(9,4-6)5-10/h6H,2-5H2,1H3
InChIKey
IJLFFEXZCASNTJ-UHFFFAOYSA-N
Compound name
ethyl 3-fluoro-3-(iodomethyl)cyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.9866 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.99388 146.1
[M+Na]+ 308.97582 145.6
[M-H]- 284.97932 141.9
[M+NH4]+ 304.02042 157.1
[M+K]+ 324.94976 153.2
[M+H-H2O]+ 268.98386 133.3
[M+HCOO]- 330.98480 161.1
[M+CH3COO]- 345.00045 192.2
[M+Na-2H]- 306.96127 138.1
[M]+ 285.98605 151.9
[M]- 285.98715 151.9
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.