CID 67800

1,5-difluoropentane

Structural Information

Molecular Formula
C5H10F2
SMILES
C(CCF)CCF
InChI
InChI=1S/C5H10F2/c6-4-2-1-3-5-7/h1-5H2
InChIKey
ZBQFYVZOWLAJKN-UHFFFAOYSA-N
Compound name
1,5-difluoropentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

240
Patents

108.07506 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 109.08234 118.6
[M+Na]+ 131.06428 126.2
[M-H]- 107.06778 116.2
[M+NH4]+ 126.10888 141.6
[M+K]+ 147.03822 125.7
[M+H-H2O]+ 91.072320 112.7
[M+HCOO]- 153.07326 140.5
[M+CH3COO]- 167.08891 170.0
[M+Na-2H]- 129.04973 125.2
[M]+ 108.07451 117.0
[M]- 108.07561 117.0
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