CID 9989386

1,1,2,2,3-pentafluorocyclobutane

Structural Information

Molecular Formula
C4H3F5
SMILES
C1C(C(C1(F)F)(F)F)F
InChI
InChI=1S/C4H3F5/c5-2-1-3(6,7)4(2,8)9/h2H,1H2
InChIKey
CCVRBOAAPJPHKL-UHFFFAOYSA-N
Compound name
1,1,2,2,3-pentafluorocyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

739
Patents

146.01549 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.02277 120.1
[M+Na]+ 169.00471 130.5
[M-H]- 145.00821 119.0
[M+NH4]+ 164.04931 139.3
[M+K]+ 184.97865 131.5
[M+H-H2O]+ 129.01275 109.9
[M+HCOO]- 191.01369 137.7
[M+CH3COO]- 205.02934 178.6
[M+Na-2H]- 166.99016 125.9
[M]+ 146.01494 121.7
[M]- 146.01604 121.7
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