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 123.7
[M+Na]+ 165.02531 132.6
[M-H]- 141.02881 121.5
[M+NH4]+ 160.06991 146.3
[M+K]+ 180.99925 130.1
[M+H-H2O]+ 125.03335 119.2
[M+HCOO]- 187.03429 139.6
[M+CH3COO]- 201.04994 174.1
[M+Na-2H]- 163.01076 130.5
[M]+ 142.03554 123.4
[M]- 142.03664 123.4
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