CID 59009373

3,3-difluoropyrrolidine-1-carbonyl chloride

Structural Information

Molecular Formula
C5H6ClF2NO
SMILES
C1CN(CC1(F)F)C(=O)Cl
InChI
InChI=1S/C5H6ClF2NO/c6-4(10)9-2-1-5(7,8)3-9/h1-3H2
InChIKey
BJJAQWMLYMOSNG-UHFFFAOYSA-N
Compound name
3,3-difluoropyrrolidine-1-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

169.0106 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.01788 126.8
[M+Na]+ 191.99982 136.4
[M-H]- 168.00332 126.5
[M+NH4]+ 187.04442 150.4
[M+K]+ 207.97376 133.8
[M+H-H2O]+ 152.00786 121.0
[M+HCOO]- 214.00880 141.9
[M+CH3COO]- 228.02445 174.1
[M+Na-2H]- 189.98527 130.5
[M]+ 169.01005 123.6
[M]- 169.01115 123.6
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