CID 45135

63905-87-3

Structural Information

Molecular Formula
C9H17FO2
SMILES
CCCC(CC)COC(=O)CF
InChI
InChI=1S/C9H17FO2/c1-3-5-8(4-2)7-12-9(11)6-10/h8H,3-7H2,1-2H3
InChIKey
WCBSIOCKNZZQPC-UHFFFAOYSA-N
Compound name
2-ethylpentyl 2-fluoroacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.12126 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.12854 140.6
[M+Na]+ 199.11048 146.6
[M-H]- 175.11398 139.2
[M+NH4]+ 194.15508 160.9
[M+K]+ 215.08442 146.4
[M+H-H2O]+ 159.11852 134.8
[M+HCOO]- 221.11946 161.1
[M+CH3COO]- 235.13511 183.0
[M+Na-2H]- 197.09593 143.0
[M]+ 176.12071 142.7
[M]- 176.12181 142.7
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.