CID 9846

407-48-7

Structural Information

Molecular Formula
C8H14BrFO2
SMILES
C(CCC(=O)OCCF)CCBr
InChI
InChI=1S/C8H14BrFO2/c9-5-3-1-2-4-8(11)12-7-6-10/h1-7H2
InChIKey
VQHIYCJLLDFMMZ-UHFFFAOYSA-N
Compound name
2-fluoroethyl 6-bromohexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.01611 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.02339 147.3
[M+Na]+ 263.00533 157.2
[M-H]- 239.00883 148.6
[M+NH4]+ 258.04993 168.5
[M+K]+ 278.97927 146.9
[M+H-H2O]+ 223.01337 146.6
[M+HCOO]- 285.01431 166.6
[M+CH3COO]- 299.02996 189.3
[M+Na-2H]- 260.99078 152.4
[M]+ 240.01556 167.7
[M]- 240.01666 167.7
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.