CID 19089463

1-chloro-3,3-difluoropentane

Structural Information

Molecular Formula
C5H9ClF2
SMILES
CCC(CCCl)(F)F
InChI
InChI=1S/C5H9ClF2/c1-2-5(7,8)3-4-6/h2-4H2,1H3
InChIKey
RZFJAIZLNWOQLI-UHFFFAOYSA-N
Compound name
1-chloro-3,3-difluoropentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

142.03609 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.04337 126.2
[M+Na]+ 165.02531 136.2
[M+NH4]+ 160.06991 133.9
[M+K]+ 180.99925 130.2
[M-H]- 141.02881 123.2
[M+Na-2H]- 163.01076 130.1
[M]+ 142.03554 126.9
[M]- 142.03664 126.9
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