CID 2776132

41405-35-0

Structural Information

Molecular Formula

C₇HClF₁₂O

SMILES

C(C(C(C(C(C(C(=O)Cl)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C7HClF12O/c8-1(21)3(11,12)5(15,16)7(19,20)6(17,18)4(13,14)2(9)10/h2H

InChIKey

SQQWEKUYKNKPOG-UHFFFAOYSA-N

Compound name

2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoyl chloride

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 78
Patents: 363.95242 Da
Monoisotopic Mass: 5.0
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]+	364.95970	156.1
[M+Na]+	386.94164	166.1
[M-H]-	362.94514	143.2
[M+NH4]+	381.98624	168.5
[M+K]+	402.91558	161.7
[M+H-H2O]+	346.94968	144.3
[M+HCOO]-	408.95062	154.0
[M+CH3COO]-	422.96627	213.7
[M+Na-2H]-	384.92709	157.9
[M]+	363.95187	139.9
[M]-	363.95297	139.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe