CID 9729

2-chloroethyl 4-fluorobutanoate

Structural Information

Molecular Formula
C6H10ClFO2
SMILES
C(CC(=O)OCCCl)CF
InChI
InChI=1S/C6H10ClFO2/c7-3-5-10-6(9)2-1-4-8/h1-5H2
InChIKey
RBTZOCMNAYPQLS-UHFFFAOYSA-N
Compound name
2-chloroethyl 4-fluorobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.03534 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.04262 130.8
[M+Na]+ 191.02456 139.0
[M-H]- 167.02806 129.7
[M+NH4]+ 186.06916 152.3
[M+K]+ 206.99850 137.0
[M+H-H2O]+ 151.03260 126.3
[M+HCOO]- 213.03354 148.8
[M+CH3COO]- 227.04919 177.0
[M+Na-2H]- 189.01001 135.8
[M]+ 168.03479 134.2
[M]- 168.03589 134.2
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.