CID 19091132

1,1,1,2,2,3,3-heptafluorohexane

Structural Information

Molecular Formula
C6H7F7
SMILES
CCCC(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C6H7F7/c1-2-3-4(7,8)5(9,10)6(11,12)13/h2-3H2,1H3
InChIKey
XMEPUXUKDYDDDY-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3-heptafluorohexane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

440
Patents

212.0436 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.05088 136.7
[M+Na]+ 235.03282 145.5
[M-H]- 211.03632 128.5
[M+NH4]+ 230.07742 155.2
[M+K]+ 251.00676 143.7
[M+H-H2O]+ 195.04086 127.5
[M+HCOO]- 257.04180 148.2
[M+CH3COO]- 271.05745 188.3
[M+Na-2H]- 233.01827 141.7
[M]+ 212.04305 126.9
[M]- 212.04415 126.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe