CID 3853245

1,1,2,2,3,3,4-heptafluorocyclopentane

Structural Information

Molecular Formula
C5H3F7
SMILES
C1C(C(C(C1(F)F)(F)F)(F)F)F
InChI
InChI=1S/C5H3F7/c6-2-1-3(7,8)5(11,12)4(2,9)10/h2H,1H2
InChIKey
IDBYQQQHBYGLEQ-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4-heptafluorocyclopentane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

3877
Patents

196.0123 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.01958 121.6
[M+Na]+ 219.00152 134.3
[M-H]- 195.00502 117.9
[M+NH4]+ 214.04612 148.6
[M+K]+ 234.97546 131.8
[M+H-H2O]+ 179.00956 114.3
[M+HCOO]- 241.01050 137.8
[M+CH3COO]- 255.02615 183.2
[M+Na-2H]- 216.98697 125.7
[M]+ 196.01175 111.5
[M]- 196.01285 111.5
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