CID 164586

1,1-difluorocyclohexane

Structural Information

Molecular Formula
C6H10F2
SMILES
C1CCC(CC1)(F)F
InChI
InChI=1S/C6H10F2/c7-6(8)4-2-1-3-5-6/h1-5H2
InChIKey
ZORQXIQZAOLNGE-UHFFFAOYSA-N
Compound name
1,1-difluorocyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

13410
Patents

120.07506 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.08234 121.3
[M+Na]+ 143.06428 127.7
[M-H]- 119.06778 121.9
[M+NH4]+ 138.10888 145.4
[M+K]+ 159.03822 126.9
[M+H-H2O]+ 103.07232 115.2
[M+HCOO]- 165.07326 140.3
[M+CH3COO]- 179.08891 168.6
[M+Na-2H]- 141.04973 127.9
[M]+ 120.07451 113.6
[M]- 120.07561 113.6
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