CID 9778

1h-perfluoroheptane

Structural Information

Molecular Formula

C₇HF₁₅

SMILES

C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C7HF15/c8-1(9)2(10,11)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)22/h1H

InChIKey

HBZVXKDQRIQMCW-UHFFFAOYSA-N

Compound name

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoroheptane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 2436
Patents: 369.9839 Da
Monoisotopic Mass: 5.5
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]+	370.99118	166.1
[M+Na]+	392.97312	175.7
[M-H]-	368.97662	150.6
[M+NH4]+	388.01772	177.0
[M+K]+	408.94706	172.6
[M+H-H2O]+	352.98116	151.6
[M+HCOO]-	414.98210	163.9
[M+CH3COO]-	428.99775	217.6
[M+Na-2H]-	390.95857	167.5
[M]+	369.98335	142.3
[M]-	369.98445	142.3

Literature stripe

literature stripe

Patent stripe

patents stripe