CID 138396304

Dtxsid30895421

Structural Information

Molecular Formula
C25H36F15I
SMILES
CCCCCCCCCCCCCCCCC(CC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)I
InChI
InChI=1S/C25H36F15I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(41)17-19(26,27)20(28,29)21(30,31)22(32,33)23(34,35)24(36,37)25(38,39)40/h18H,2-17H2,1H3
InChIKey
AGPPLHDXJQVLSS-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-9-iodopentacosane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

748.16223 Da
Monoisotopic Mass

15.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 749.16951 248.5
[M+Na]+ 771.15145 253.1
[M-H]- 747.15495 247.8
[M+NH4]+ 766.19605 256.2
[M+K]+ 787.12539 264.5
[M+H-H2O]+ 731.15949 238.0
[M+HCOO]- 793.16043 260.5
[M+CH3COO]- 807.17608 269.2
[M+Na-2H]- 769.13690 239.2
[M]+ 748.16168 244.2
[M]- 748.16278 244.2
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.