CID 138396292

Dtxsid10895348

Structural Information

Molecular Formula
C17H14F21I
SMILES
CCCCCC(CC(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)I
InChI
InChI=1S/C17H14F21I/c1-2-3-4-5-7(39)6-8(18,19)9(20,21)10(22,23)11(24,25)12(26,27)13(28,29)14(30,31)15(32,33)16(34,35)17(36,37)38/h7H,2-6H2,1H3
InChIKey
ARVPOVRKBXQPNT-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluoro-12-iodoheptadecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

743.98047 Da
Monoisotopic Mass

11.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 744.98775 229.2
[M+Na]+ 766.96969 233.6
[M-H]- 742.97319 235.9
[M+NH4]+ 762.01429 239.7
[M+K]+ 782.94363 246.2
[M+H-H2O]+ 726.97773 217.1
[M+HCOO]- 788.97867 243.8
[M+CH3COO]- 802.99432 262.4
[M+Na-2H]- 764.95514 225.6
[M]+ 743.97992 225.7
[M]- 743.98102 225.7
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

No patent data available for this compound.