CID 2760788

1,1,2-trifluorooct-1-ene

Structural Information

Molecular Formula
C8H13F3
SMILES
CCCCCCC(=C(F)F)F
InChI
InChI=1S/C8H13F3/c1-2-3-4-5-6-7(9)8(10)11/h2-6H2,1H3
InChIKey
QLMNBUGTGFMBBM-UHFFFAOYSA-N
Compound name
1,1,2-trifluorooct-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

166.09694 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.10422 134.8
[M+Na]+ 189.08616 141.1
[M-H]- 165.08966 130.7
[M+NH4]+ 184.13076 155.3
[M+K]+ 205.06010 139.5
[M+H-H2O]+ 149.09420 127.5
[M+HCOO]- 211.09514 152.9
[M+CH3COO]- 225.11079 181.8
[M+Na-2H]- 187.07161 136.6
[M]+ 166.09639 131.0
[M]- 166.09749 131.0
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