CID 11967

3-fluoropropyl benzoate

Structural Information

Molecular Formula
C10H11FO2
SMILES
C1=CC=C(C=C1)C(=O)OCCCF
InChI
InChI=1S/C10H11FO2/c11-7-4-8-13-10(12)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChIKey
FWFWAWNZMBTGHN-UHFFFAOYSA-N
Compound name
3-fluoropropyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

182.07431 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.081586 137.0
[M+Na]+ 205.063528 144.1
[M-H]- 181.067034 139.0
[M+NH4]+ 200.108133 156.8
[M+K]+ 221.037468 142.4
[M+H-H2O]+ 165.071570 130.1
[M+HCOO]- 227.072511 159.9
[M+CH3COO]- 241.088161 180.4
[M+Na-2H]- 203.048976 142.8
[M]+ 182.07376142 137.6
[M]- 182.07485858 137.6
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