CID 6372

Chlorodifluoromethane

Structural Information

Molecular Formula
CHClF2
SMILES
C(F)(F)Cl
InChI
InChI=1S/CHClF2/c2-1(3)4/h1H
InChIKey
VOPWNXZWBYDODV-UHFFFAOYSA-N
Compound name
chloro(difluoro)methane
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

89
References

66947
Patents

85.97349 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 86.980766 104.5
[M+Na]+ 108.96271 114.3
[M-H]- 84.966214 102.7
[M+NH4]+ 104.00731 129.1
[M+K]+ 124.93665 113.0
[M+H-H2O]+ 68.970750 100.3
[M+HCOO]- 130.97169 122.3
[M+CH3COO]- 144.98734 162.6
[M+Na-2H]- 106.94816 111.7
[M]+ 85.972941 102.5
[M]- 85.974039 102.5
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