CID 61107

Cfc-111

Structural Information

Molecular Formula
C2Cl5F
SMILES
C(C(Cl)(Cl)Cl)(F)(Cl)Cl
InChI
InChI=1S/C2Cl5F/c3-1(4,5)2(6,7)8
InChIKey
KQKBWZDTYSQPMD-UHFFFAOYSA-N
Compound name
1,1,1,2,2-pentachloro-2-fluoroethane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

421
Patents

217.84267 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.84995 138.5
[M+Na]+ 240.83189 147.1
[M-H]- 216.83539 133.4
[M+NH4]+ 235.87649 156.1
[M+K]+ 256.80583 142.6
[M+H-H2O]+ 200.83993 137.1
[M+HCOO]- 262.84087 133.2
[M+CH3COO]- 276.85652 187.1
[M+Na-2H]- 238.81734 142.0
[M]+ 217.84212 135.1
[M]- 217.84322 135.1
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