CID 9618

1,12-difluorododecane

Structural Information

Molecular Formula
C12H24F2
SMILES
C(CCCCCCF)CCCCCF
InChI
InChI=1S/C12H24F2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h1-12H2
InChIKey
DSWRGYZVKIIDBW-UHFFFAOYSA-N
Compound name
1,12-difluorododecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

206.1846 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.19188 151.2
[M+Na]+ 229.17382 156.0
[M-H]- 205.17732 147.5
[M+NH4]+ 224.21842 170.4
[M+K]+ 245.14776 153.4
[M+H-H2O]+ 189.18186 143.8
[M+HCOO]- 251.18280 170.9
[M+CH3COO]- 265.19845 191.1
[M+Na-2H]- 227.15927 153.9
[M]+ 206.18405 152.4
[M]- 206.18515 152.4
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