CID 61113

Propane, 1-chloro-1,1,2,2,3,3,3-heptafluoro-

Structural Information

Molecular Formula
C3ClF7
SMILES
C(C(F)(F)F)(C(F)(F)Cl)(F)F
InChI
InChI=1S/C3ClF7/c4-2(7,8)1(5,6)3(9,10)11
InChIKey
XXSZLFRJEKKBDJ-UHFFFAOYSA-N
Compound name
1-chloro-1,1,2,2,3,3,3-heptafluoropropane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

2165
Patents

203.95767 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.96495 125.6
[M+Na]+ 226.94689 136.4
[M-H]- 202.95039 117.9
[M+NH4]+ 221.99149 145.2
[M+K]+ 242.92083 133.1
[M+H-H2O]+ 186.95493 117.6
[M+HCOO]- 248.95587 133.8
[M+CH3COO]- 262.97152 183.2
[M+Na-2H]- 224.93234 132.0
[M]+ 203.95712 116.7
[M]- 203.95822 116.7
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