CID 9758

4-fluorobutyl acetate

Structural Information

Molecular Formula
C6H11FO2
SMILES
CC(=O)OCCCCF
InChI
InChI=1S/C6H11FO2/c1-6(8)9-5-3-2-4-7/h2-5H2,1H3
InChIKey
APLJRWZEMBRHHT-UHFFFAOYSA-N
Compound name
4-fluorobutyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

134.07431 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.08159 126.1
[M+Na]+ 157.06353 133.5
[M-H]- 133.06703 125.2
[M+NH4]+ 152.10813 148.2
[M+K]+ 173.03747 133.8
[M+H-H2O]+ 117.07157 120.8
[M+HCOO]- 179.07251 148.6
[M+CH3COO]- 193.08816 173.1
[M+Na-2H]- 155.04898 131.5
[M]+ 134.07376 127.7
[M]- 134.07486 127.7
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

patents stripe