CID 138396280

1,1,1,2,2,3,3,4,4,7,7,8,8,8-tetradecafluoro-5-iodooctane

Structural Information

Molecular Formula
C8H3F14I
SMILES
C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)I)C(C(F)(F)F)(F)F
InChI
InChI=1S/C8H3F14I/c9-3(10,7(17,18)19)1-2(23)4(11,12)5(13,14)6(15,16)8(20,21)22/h2H,1H2
InChIKey
XKABHVVVNXLIEE-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,7,7,8,8,8-tetradecafluoro-5-iodooctane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

491.90558 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 492.91286 173.9
[M+Na]+ 514.89480 176.7
[M-H]- 490.89830 154.2
[M+NH4]+ 509.93940 180.6
[M+K]+ 530.86874 178.7
[M+H-H2O]+ 474.90284 157.4
[M+HCOO]- 536.90378 169.1
[M+CH3COO]- 550.91943 225.1
[M+Na-2H]- 512.88025 165.0
[M]+ 491.90503 151.2
[M]- 491.90613 151.2
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.