CID 13054

1h,2h-octafluorocyclohexene

Structural Information

Molecular Formula
C6H2F8
SMILES
C1=CC(C(C(C1(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C6H2F8/c7-3(8)1-2-4(9,10)6(13,14)5(3,11)12/h1-2H
InChIKey
JSIJIGNXOVSJFX-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6-octafluorocyclohexene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

226.00287 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.01015 127.5
[M+Na]+ 248.99209 141.1
[M-H]- 224.99559 123.1
[M+NH4]+ 244.03669 153.3
[M+K]+ 264.96603 138.3
[M+H-H2O]+ 209.00013 119.3
[M+HCOO]- 271.00107 141.6
[M+CH3COO]- 285.01672 189.2
[M+Na-2H]- 246.97754 133.5
[M]+ 226.00232 116.5
[M]- 226.00342 116.5
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