CID 67643

Heptafluorobutyric anhydride

Structural Information

Molecular Formula

C₈F₁₄O₃

SMILES

C(=O)(C(C(C(F)(F)F)(F)F)(F)F)OC(=O)C(C(C(F)(F)F)(F)F)(F)F

InChI

InChI=1S/C8F14O3/c9-3(10,5(13,14)7(17,18)19)1(23)25-2(24)4(11,12)6(15,16)8(20,21)22

InChIKey

UFFSXJKVKBQEHC-UHFFFAOYSA-N

Compound name

2,2,3,3,4,4,4-heptafluorobutanoyl 2,2,3,3,4,4,4-heptafluorobutanoate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 125
References: 2619
Patents: 409.9624 Da
Monoisotopic Mass: 4.8
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]+	410.96968	170.2
[M+Na]+	432.95162	159.3
[M-H]-	408.95512	158.8
[M+NH4]+	427.99622	162.2
[M+K]+	448.92556	177.7
[M+H-H2O]+	392.95966	156.6
[M+HCOO]-	454.96060	170.0
[M+CH3COO]-	468.97625	219.4
[M+Na-2H]-	430.93707	172.2
[M]+	409.96185	149.8
[M]-	409.96295	149.8

Literature stripe

literature stripe

Patent stripe

patents stripe