CID 62918041

1-(2,2-difluoroethyl)pyrrolidin-3-ol

Structural Information

Molecular Formula
C6H11F2NO
SMILES
C1CN(CC1O)CC(F)F
InChI
InChI=1S/C6H11F2NO/c7-6(8)4-9-2-1-5(10)3-9/h5-6,10H,1-4H2
InChIKey
GLSFKVZLDBCSSQ-UHFFFAOYSA-N
Compound name
1-(2,2-difluoroethyl)pyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

151.08087 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.088146 129.5
[M+Na]+ 174.070088 136.2
[M-H]- 150.073594 127.4
[M+NH4]+ 169.114693 150.3
[M+K]+ 190.044028 134.9
[M+H-H2O]+ 134.078130 122.1
[M+HCOO]- 196.079071 147.1
[M+CH3COO]- 210.094721 172.6
[M+Na-2H]- 172.055536 131.3
[M]+ 151.08032142 123.5
[M]- 151.08141858 123.5
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