CID 2736851

355-40-8

Structural Information

Molecular Formula

C₆Cl₂F₁₂

SMILES

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

InChI

InChI=1S/C6Cl2F12/c7-5(17,18)3(13,14)1(9,10)2(11,12)4(15,16)6(8,19)20

InChIKey

SNCGKZWVZZPGDQ-UHFFFAOYSA-N

Compound name

1,6-dichloro-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 13
Patents: 369.91855 Da
Monoisotopic Mass: 5.6
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]+	370.92583	156.0
[M+Na]+	392.90777	167.0
[M-H]-	368.91127	143.5
[M+NH4]+	387.95237	168.8
[M+K]+	408.88171	161.0
[M+H-H2O]+	352.91581	144.8
[M+HCOO]-	414.91675	149.8
[M+CH3COO]-	428.93240	213.4
[M+Na-2H]-	390.89322	160.5
[M]+	369.91800	140.6
[M]-	369.91910	140.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe