CID 6389

Trichlorofluoromethane

Structural Information

Molecular Formula
CCl3F
SMILES
C(F)(Cl)(Cl)Cl
InChI
InChI=1S/CCl3F/c2-1(3,4)5
InChIKey
CYRMSUTZVYGINF-UHFFFAOYSA-N
Compound name
trichloro(fluoro)methane
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

63
References

96238
Patents

135.90497 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.91225 115.2
[M+Na]+ 158.89419 125.7
[M-H]- 134.89769 113.3
[M+NH4]+ 153.93879 138.0
[M+K]+ 174.86813 121.7
[M+H-H2O]+ 118.90223 113.6
[M+HCOO]- 180.90317 122.9
[M+CH3COO]- 194.91882 170.5
[M+Na-2H]- 156.87964 122.6
[M]+ 135.90442 115.2
[M]- 135.90552 115.2
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