CID 42553070

4,4-difluoro-l-prolinamide hydrochloride

Structural Information

Molecular Formula
C5H8F2N2O
SMILES
C1[C@H](NCC1(F)F)C(=O)N
InChI
InChI=1S/C5H8F2N2O/c6-5(7)1-3(4(8)10)9-2-5/h3,9H,1-2H2,(H2,8,10)/t3-/m0/s1
InChIKey
MVEDZPQIZLYLLT-VKHMYHEASA-N
Compound name
(2S)-4,4-difluoropyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

275
Patents

150.06047 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.06775 126.5
[M+Na]+ 173.04969 134.0
[M-H]- 149.05319 124.4
[M+NH4]+ 168.09429 148.7
[M+K]+ 189.02363 132.1
[M+H-H2O]+ 133.05773 120.0
[M+HCOO]- 195.05867 145.1
[M+CH3COO]- 209.07432 172.4
[M+Na-2H]- 171.03514 129.5
[M]+ 150.05992 118.0
[M]- 150.06102 118.0
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