CID 129658039

1,5-dichloro-3,3-difluoropentane

Structural Information

Molecular Formula
C5H8Cl2F2
SMILES
C(CCl)C(CCCl)(F)F
InChI
InChI=1S/C5H8Cl2F2/c6-3-1-5(8,9)2-4-7/h1-4H2
InChIKey
NTYQPHZKBXMUAR-UHFFFAOYSA-N
Compound name
1,5-dichloro-3,3-difluoropentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.99712 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.00440 129.0
[M+Na]+ 198.98634 138.2
[M-H]- 174.98984 126.1
[M+NH4]+ 194.03094 150.5
[M+K]+ 214.96028 133.9
[M+H-H2O]+ 158.99438 125.1
[M+HCOO]- 220.99532 139.9
[M+CH3COO]- 235.01097 179.0
[M+Na-2H]- 196.97179 135.0
[M]+ 175.99657 129.5
[M]- 175.99767 129.5
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

No patent data available for this compound.