CID 10242447

Chloroheptafluorocyclobutane

Structural Information

Molecular Formula
C4ClF7
SMILES
C1(C(C(C1(F)F)(F)Cl)(F)F)(F)F
InChI
InChI=1S/C4ClF7/c5-1(6)2(7,8)4(11,12)3(1,9)10
InChIKey
KPEMHIJREABZQQ-UHFFFAOYSA-N
Compound name
1-chloro-1,2,2,3,3,4,4-heptafluorocyclobutane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

286
Patents

215.95767 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.96495 122.5
[M+Na]+ 238.94689 136.6
[M-H]- 214.95039 120.1
[M+NH4]+ 233.99149 143.7
[M+K]+ 254.92083 134.6
[M+H-H2O]+ 198.95493 114.8
[M+HCOO]- 260.95587 134.2
[M+CH3COO]- 274.97152 189.3
[M+Na-2H]- 236.93234 129.2
[M]+ 215.95712 124.7
[M]- 215.95822 124.7
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