CID 53862665

1,1,1,2,2,3,3,4,4,7,7,7-dodecafluoroheptane

Structural Information

Molecular Formula
C7H4F12
SMILES
C(CC(F)(F)F)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C7H4F12/c8-3(9,1-2-4(10,11)12)5(13,14)6(15,16)7(17,18)19/h1-2H2
InChIKey
RDTOHVCWSKMGDV-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,7,7,7-dodecafluoroheptane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

316.01215 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.01943 157.1
[M+Na]+ 339.00137 166.5
[M-H]- 315.00487 143.9
[M+NH4]+ 334.04597 170.7
[M+K]+ 354.97531 163.5
[M+H-H2O]+ 299.00941 144.3
[M+HCOO]- 361.01035 160.0
[M+CH3COO]- 375.02600 206.9
[M+Na-2H]- 336.98682 160.3
[M]+ 316.01160 138.9
[M]- 316.01270 138.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe