CID 2775183

25291-12-7

Structural Information

Molecular Formula
C10H6F15I
SMILES
CC(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/C10H6F15I/c1-3(26)2-4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)25/h3H,2H2,1H3
InChIKey
NUNKCHDMLFIONG-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-9-iododecane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

8
Patents

537.9275 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 538.93478 185.6
[M+Na]+ 560.91672 188.2
[M-H]- 536.92022 201.4
[M+NH4]+ 555.96132 205.7
[M+K]+ 576.89066 189.9
[M+H-H2O]+ 520.92476 168.8
[M+HCOO]- 582.92570 214.7
[M+CH3COO]- 596.94135 233.7
[M+Na-2H]- 558.90217 176.8
[M]+ 537.92695 194.8
[M]- 537.92805 194.8
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

patents stripe