CID 6594

Chlorotrifluoroethylene

Structural Information

Molecular Formula
C2ClF3
SMILES
C(=C(F)Cl)(F)F
InChI
InChI=1S/C2ClF3/c3-1(4)2(5)6
InChIKey
UUAGAQFQZIEFAH-UHFFFAOYSA-N
Compound name
1-chloro-1,2,2-trifluoroethene
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

54
References

111972
Patents

115.964066 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.971342 110.0
[M+Na]+ 138.953284 119.6
[M-H]- 114.956790 106.8
[M+NH4]+ 133.997889 133.2
[M+K]+ 154.927224 117.3
[M+H-H2O]+ 98.961326 104.8
[M+HCOO]- 160.962267 125.7
[M+CH3COO]- 174.977917 167.6
[M+Na-2H]- 136.938732 114.9
[M]+ 115.96351742 105.8
[M]- 115.96461458 105.8
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