CID 24653

1,1-dichloro-1-fluoropropane

Structural Information

Molecular Formula
C3H5Cl2F
SMILES
CCC(F)(Cl)Cl
InChI
InChI=1S/C3H5Cl2F/c1-2-3(4,5)6/h2H2,1H3
InChIKey
JXGAPNVPOVVXPV-UHFFFAOYSA-N
Compound name
1,1-dichloro-1-fluoropropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

218
Patents

129.97523 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.98251 117.9
[M+Na]+ 152.96445 127.8
[M-H]- 128.96795 116.8
[M+NH4]+ 148.00905 141.3
[M+K]+ 168.93839 124.5
[M+H-H2O]+ 112.97249 115.4
[M+HCOO]- 174.97343 130.4
[M+CH3COO]- 188.98908 170.3
[M+Na-2H]- 150.94990 125.5
[M]+ 129.97468 118.8
[M]- 129.97578 118.8
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