CID 2775160

131771-31-8

Structural Information

Molecular Formula
C14H10F17IO
SMILES
C1C(C(CO1)CI)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
InChI
InChI=1S/C14H10F17IO/c15-7(16,1-5-3-33-4-6(5)2-32)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h5-6H,1-4H2
InChIKey
QBAODHXWEYFWJU-UHFFFAOYSA-N
Compound name
3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl)-4-(iodomethyl)oxolane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

643.9505 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 644.95778 209.3
[M+Na]+ 666.93972 211.3
[M-H]- 642.94322 190.9
[M+NH4]+ 661.98432 219.1
[M+K]+ 682.91366 212.9
[M+H-H2O]+ 626.94776 191.9
[M+HCOO]- 688.94870 233.7
[M+CH3COO]- 702.96435 247.0
[M+Na-2H]- 664.92517 200.8
[M]+ 643.94995 182.8
[M]- 643.95105 182.8
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.