CID 67711

1,1,1-trichloro-2,2-difluoroethane

Structural Information

Molecular Formula
C2HCl3F2
SMILES
C(C(Cl)(Cl)Cl)(F)F
InChI
InChI=1S/C2HCl3F2/c3-2(4,5)1(6)7/h1H
InChIKey
RDTZCQIUXDONLZ-UHFFFAOYSA-N
Compound name
1,1,1-trichloro-2,2-difluoroethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2310
Patents

167.9112 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.91848 120.2
[M+Na]+ 190.90042 130.2
[M-H]- 166.90392 116.9
[M+NH4]+ 185.94502 141.7
[M+K]+ 206.87436 125.9
[M+H-H2O]+ 150.90846 117.6
[M+HCOO]- 212.90940 125.8
[M+CH3COO]- 226.92505 176.2
[M+Na-2H]- 188.88587 125.6
[M]+ 167.91065 118.9
[M]- 167.91175 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