CID 69959

1,3-dichloro-1,1-difluoropropane

Structural Information

Molecular Formula
C3H4Cl2F2
SMILES
C(CCl)C(F)(F)Cl
InChI
InChI=1S/C3H4Cl2F2/c4-2-1-3(5,6)7/h1-2H2
InChIKey
WGABYHBTXHBSEI-UHFFFAOYSA-N
Compound name
1,3-dichloro-1,1-difluoropropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

77
Patents

147.9658 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.97308 119.5
[M+Na]+ 170.95502 129.5
[M-H]- 146.95852 117.0
[M+NH4]+ 165.99962 142.1
[M+K]+ 186.92896 125.7
[M+H-H2O]+ 130.96306 116.0
[M+HCOO]- 192.96400 131.0
[M+CH3COO]- 206.97965 173.1
[M+Na-2H]- 168.94047 126.6
[M]+ 147.96525 119.3
[M]- 147.96635 119.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe