CID 6428

1,1,2-trichlorotrifluoroethane

Structural Information

Molecular Formula
C2Cl3F3
SMILES
C(C(F)(Cl)Cl)(F)(F)Cl
InChI
InChI=1S/C2Cl3F3/c3-1(4,6)2(5,7)8
InChIKey
AJDIZQLSFPQPEY-UHFFFAOYSA-N
Compound name
1,1,2-trichloro-1,2,2-trifluoroethane
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

54
References

36105
Patents

185.90176 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.909036 122.6
[M+Na]+ 208.890978 133.1
[M-H]- 184.894484 118.3
[M+NH4]+ 203.935583 143.3
[M+K]+ 224.864918 128.4
[M+H-H2O]+ 168.899020 119.2
[M+HCOO]- 230.899961 126.5
[M+CH3COO]- 244.915611 179.2
[M+Na-2H]- 206.876426 129.1
[M]+ 185.90121142 120.2
[M]- 185.90230858 120.2
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