CID 542848

7h-dodecafluoroheptanal

Structural Information

Molecular Formula

C₇H₂F₁₂O

SMILES

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

InChI

InChI=1S/C7H2F12O/c8-2(9)4(12,13)6(16,17)7(18,19)5(14,15)3(10,11)1-20/h1-2H

InChIKey

NRHPPSVQCZAEGQ-UHFFFAOYSA-N

Compound name

2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanal

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 407
Patents: 329.9914 Da
Monoisotopic Mass: 3.9
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]+	330.99868	156.7
[M+Na]+	352.98062	166.1
[M-H]-	328.98412	143.5
[M+NH4]+	348.02522	169.5
[M+K]+	368.95456	163.3
[M+H-H2O]+	312.98866	144.0
[M+HCOO]-	374.98960	159.2
[M+CH3COO]-	389.00525	209.6
[M+Na-2H]-	350.96607	159.3
[M]+	329.99085	138.7
[M]-	329.99195	138.7

Literature stripe

literature stripe

Patent stripe

patents stripe