CID 62353

1,3-dichloro-1,1,2,2,3-pentafluoropropane

Structural Information

Molecular Formula
C3HCl2F5
SMILES
C(C(C(F)(F)Cl)(F)F)(F)Cl
InChI
InChI=1S/C3HCl2F5/c4-1(6)2(7,8)3(5,9)10/h1H
InChIKey
UJIGKESMIPTWJH-UHFFFAOYSA-N
Compound name
1,3-dichloro-1,1,2,2,3-pentafluoropropane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

1
References

4947
Patents

201.93755 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.94483 123.8
[M+Na]+ 224.92677 134.2
[M-H]- 200.93027 117.9
[M+NH4]+ 219.97137 144.0
[M+K]+ 240.90071 129.9
[M+H-H2O]+ 184.93481 118.0
[M+HCOO]- 246.93575 130.0
[M+CH3COO]- 260.95140 182.8
[M+Na-2H]- 222.91222 129.0
[M]+ 201.93700 118.9
[M]- 201.93810 118.9
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