CID 61115

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1123
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 124.0
[M+Na]+ 224.92677 134.4
[M-H]- 200.93027 118.1
[M+NH4]+ 219.97137 144.3
[M+K]+ 240.90071 130.2
[M+H-H2O]+ 184.93481 118.2
[M+HCOO]- 246.93575 130.1
[M+CH3COO]- 260.95140 182.1
[M+Na-2H]- 222.91222 129.1
[M]+ 201.93700 119.0
[M]- 201.93810 119.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe