CID 19762029

1,1,1,2,2,3,3-heptafluoroheptane

Structural Information

Molecular Formula
C7H9F7
SMILES
CCCCC(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C7H9F7/c1-2-3-4-5(8,9)6(10,11)7(12,13)14/h2-4H2,1H3
InChIKey
YHNUMBKYLJWTIO-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3-heptafluoroheptane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

65
Patents

226.05925 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.06653 141.5
[M+Na]+ 249.04847 149.9
[M-H]- 225.05197 133.1
[M+NH4]+ 244.09307 159.4
[M+K]+ 265.02241 147.8
[M+H-H2O]+ 209.05651 132.1
[M+HCOO]- 271.05745 152.7
[M+CH3COO]- 285.07310 191.3
[M+Na-2H]- 247.03392 145.9
[M]+ 226.05870 132.0
[M]- 226.05980 132.0
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