CID 10132570

Cycloheptane, tetradecafluoro-

Structural Information

Molecular Formula

C₇F₁₄

SMILES

C1(C(C(C(C(C(C1(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C7F14/c8-1(9)2(10,11)4(14,15)6(18,19)7(20,21)5(16,17)3(1,12)13

InChIKey

FNVLGCVAWPSVSK-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 785
Patents: 349.97763 Da
Monoisotopic Mass: 3.6
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]+	350.98491	114.8
[M+Na]+	372.96685	130.0
[M-H]-	348.97035	107.8
[M+NH4]+	368.01145	138.4
[M+K]+	388.94079	128.3
[M+H-H2O]+	332.97489	105.6
[M+HCOO]-	394.97583	121.7
[M+CH3COO]-	408.99148	214.3
[M+Na-2H]-	370.95230	120.5
[M]+	349.97708	97.1
[M]-	349.97818	97.1

Literature stripe

literature stripe

Patent stripe

patents stripe