CID 15019970

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-10-iodotetradecane

Structural Information

Molecular Formula
C14H12F17I
SMILES
CCCCC(CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)I
InChI
InChI=1S/C14H12F17I/c1-2-3-4-6(32)5-7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h6H,2-5H2,1H3
InChIKey
UAKCXZYWOHJHOQ-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-10-iodotetradecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

629.97125 Da
Monoisotopic Mass

9.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 630.97853 214.0
[M+Na]+ 652.96047 219.8
[M-H]- 628.96397 218.4
[M+NH4]+ 648.00507 222.9
[M+K]+ 668.93441 229.0
[M+H-H2O]+ 612.96851 203.8
[M+HCOO]- 674.96945 229.7
[M+CH3COO]- 688.98510 248.1
[M+Na-2H]- 650.94592 210.0
[M]+ 629.97070 210.6
[M]- 629.97180 210.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe