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

7
Patents

134.07431 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.081586 126.1
[M+Na]+ 157.063528 133.5
[M-H]- 133.067034 125.2
[M+NH4]+ 152.108133 148.2
[M+K]+ 173.037468 133.8
[M+H-H2O]+ 117.071570 120.8
[M+HCOO]- 179.072511 148.6
[M+CH3COO]- 193.088161 173.1
[M+Na-2H]- 155.048976 131.5
[M]+ 134.07376142 127.7
[M]- 134.07485858 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