CID 20333200

25080-24-4

Structural Information

Molecular Formula
C9H4F15IO
SMILES
C(CI)C(C(C(C(OC(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C9H4F15IO/c10-3(11,1-2-25)4(12,13)5(14,15)9(23,24)26-6(16,7(17,18)19)8(20,21)22/h1-2H2
InChIKey
PFUMSKSNQXXFNY-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4-octafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-6-iodohexane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

539.90674 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 540.91402 187.8
[M+Na]+ 562.89596 190.8
[M-H]- 538.89946 195.9
[M+NH4]+ 557.94056 199.9
[M+K]+ 578.86990 192.7
[M+H-H2O]+ 522.90400 170.8
[M+HCOO]- 584.90494 212.0
[M+CH3COO]- 598.92059 231.6
[M+Na-2H]- 560.88141 180.3
[M]+ 539.90619 189.7
[M]- 539.90729 189.7
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