CID 14111647

1,1,1-trifluorohexane

Structural Information

Molecular Formula
C6H11F3
SMILES
CCCCCC(F)(F)F
InChI
InChI=1S/C6H11F3/c1-2-3-4-5-6(7,8)9/h2-5H2,1H3
InChIKey
XRKOOHTZZDPJNE-UHFFFAOYSA-N
Compound name
1,1,1-trifluorohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4657
Patents

140.08128 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.088556 126.1
[M+Na]+ 163.070498 134.0
[M-H]- 139.074004 122.6
[M+NH4]+ 158.115103 148.0
[M+K]+ 179.044438 133.1
[M+H-H2O]+ 123.078540 119.7
[M+HCOO]- 185.079481 145.2
[M+CH3COO]- 199.095131 175.4
[M+Na-2H]- 161.055946 132.2
[M]+ 140.08073142 123.1
[M]- 140.08182858 123.1
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