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

4
Patents

182.07431 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.08159 137.0
[M+Na]+ 205.06353 144.1
[M-H]- 181.06703 139.0
[M+NH4]+ 200.10813 156.8
[M+K]+ 221.03747 142.4
[M+H-H2O]+ 165.07157 130.1
[M+HCOO]- 227.07251 159.9
[M+CH3COO]- 241.08816 180.4
[M+Na-2H]- 203.04898 142.8
[M]+ 182.07376 137.6
[M]- 182.07486 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