CID 2776209

40678-31-7

Structural Information

Molecular Formula
C11H4F19I
SMILES
C(CI)C(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H4F19I/c12-3(13,1-2-31)5(15,16)7(19,20)9(23,24)8(21,22)6(17,18)4(14,10(25,26)27)11(28,29)30/h1-2H2
InChIKey
PMGMHQUGBLUBQV-UHFFFAOYSA-N
Compound name
1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-10-iodo-2-(trifluoromethyl)decane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

50
Patents

623.90546 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 624.91274 204.4
[M+Na]+ 646.89468 209.9
[M-H]- 622.89818 210.1
[M+NH4]+ 641.93928 213.2
[M+K]+ 662.86862 219.1
[M+H-H2O]+ 606.90272 193.3
[M+HCOO]- 668.90366 223.0
[M+CH3COO]- 682.91931 244.9
[M+Na-2H]- 644.88013 202.2
[M]+ 623.90491 201.4
[M]- 623.90601 201.4
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