CID 53415440

1-(2-chloroethyl)-3,3-difluoropyrrolidinehydrochloride

Structural Information

Molecular Formula
C6H10ClF2N
SMILES
C1CN(CC1(F)F)CCCl
InChI
InChI=1S/C6H10ClF2N/c7-2-4-10-3-1-6(8,9)5-10/h1-5H2
InChIKey
ZPIFPFRUCLDLNX-UHFFFAOYSA-N
Compound name
1-(2-chloroethyl)-3,3-difluoropyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

169.04698 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.05426 129.4
[M+Na]+ 192.03620 138.5
[M-H]- 168.03970 128.7
[M+NH4]+ 187.08080 153.1
[M+K]+ 208.01014 135.3
[M+H-H2O]+ 152.04424 123.2
[M+HCOO]- 214.04518 144.7
[M+CH3COO]- 228.06083 175.9
[M+Na-2H]- 190.02165 133.7
[M]+ 169.04643 126.5
[M]- 169.04753 126.5
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