CID 165665395

2499715-43-2

Structural Information

Molecular Formula
C13H7F5O3
SMILES
C1=C(C1=O)CCCC(=O)OC2=C(C(=C(C(=C2F)F)F)F)F
InChI
InChI=1S/C13H7F5O3/c14-8-9(15)11(17)13(12(18)10(8)16)21-7(20)3-1-2-5-4-6(5)19/h4H,1-3H2
InChIKey
VAQSYBDPDFWNNI-UHFFFAOYSA-N
Compound name
(2,3,4,5,6-pentafluorophenyl) 4-(3-oxocyclopropen-1-yl)butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.03152 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.03880 150.2
[M+Na]+ 329.02074 164.0
[M-H]- 305.02424 152.7
[M+NH4]+ 324.06534 161.3
[M+K]+ 344.99468 158.0
[M+H-H2O]+ 289.02878 139.3
[M+HCOO]- 351.02972 169.7
[M+CH3COO]- 365.04537 209.2
[M+Na-2H]- 327.00619 150.1
[M]+ 306.03097 152.7
[M]- 306.03207 152.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.