CID 2776098

Perfluoro(1,3-dipropoxycyclohexane)

Structural Information

Molecular Formula
C12F24O2
SMILES
C1(C(C(C(C(C1(F)F)(F)F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C12F24O2/c13-1(14)2(15,16)7(25,37-11(33,34)5(21,22)9(27,28)29)4(19,20)8(26,3(1,17)18)38-12(35,36)6(23,24)10(30,31)32
InChIKey
ANARGVKRHRBDMP-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,5,5,6-decafluoro-4,6-bis(1,1,2,2,3,3,3-heptafluoropropoxy)cyclohexane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

631.9515 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 632.95878 216.2
[M+Na]+ 654.94072 231.6
[M-H]- 630.94422 200.4
[M+NH4]+ 649.98532 197.4
[M+K]+ 670.91466 228.2
[M+H-H2O]+ 614.94876 203.7
[M+HCOO]- 676.94970 205.5
[M+CH3COO]- 690.96535 252.9
[M+Na-2H]- 652.92617 218.0
[M]+ 631.95095 186.9
[M]- 631.95205 186.9
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