CID 22002910

1,1,1,2,2,3,3-heptafluorononane

Structural Information

Molecular Formula
C9H13F7
SMILES
CCCCCCC(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C9H13F7/c1-2-3-4-5-6-7(10,11)8(12,13)9(14,15)16/h2-6H2,1H3
InChIKey
ZICALAZJGGHDNX-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3-heptafluorononane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

53
Patents

254.09055 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.09783 151.0
[M+Na]+ 277.07977 158.6
[M-H]- 253.08327 142.3
[M+NH4]+ 272.12437 167.9
[M+K]+ 293.05371 156.0
[M+H-H2O]+ 237.08781 141.2
[M+HCOO]- 299.08875 161.6
[M+CH3COO]- 313.10440 197.2
[M+Na-2H]- 275.06522 154.4
[M]+ 254.09000 142.3
[M]- 254.09110 142.3
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