CID 6392

Chlorotrifluoromethane

Structural Information

Molecular Formula
CClF3
SMILES
C(F)(F)(F)Cl
InChI
InChI=1S/CClF3/c2-1(3,4)5
InChIKey
AFYPFACVUDMOHA-UHFFFAOYSA-N
Compound name
chloro(trifluoro)methane
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

2
References

14964
Patents

103.964066 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.97134 106.6
[M+Na]+ 126.95328 117.1
[M-H]- 102.95679 103.7
[M+NH4]+ 121.99789 130.6
[M+K]+ 142.92722 115.3
[M+H-H2O]+ 86.961326 101.9
[M+HCOO]- 148.96227 122.8
[M+CH3COO]- 162.97792 164.9
[M+Na-2H]- 124.93873 115.0
[M]+ 103.96352 103.6
[M]- 103.96461 103.6
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