CID 2776143

799-34-8

Structural Information

Molecular Formula

C₁₀H₈F₁₂O₂

SMILES

C1C(O1)COCC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C10H8F12O2/c11-5(12)7(15,16)9(19,20)10(21,22)8(17,18)6(13,14)3-23-1-4-2-24-4/h4-5H,1-3H2

InChIKey

BUSYHRRDAMGPJN-UHFFFAOYSA-N

Compound name

2-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxymethyl)oxirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 115
Patents: 388.03326 Da
Monoisotopic Mass: 4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	389.04054	155.5
[M+Na]+	411.02248	164.0
[M-H]-	387.02598	146.4
[M+NH4]+	406.06708	160.5
[M+K]+	426.99642	161.3
[M+H-H2O]+	371.03052	140.8
[M+HCOO]-	433.03146	157.2
[M+CH3COO]-	447.04711	220.7
[M+Na-2H]-	409.00793	159.6
[M]+	388.03271	143.3
[M]-	388.03381	143.3

Literature stripe

literature stripe

Patent stripe

patents stripe