CID 260650

2,2-difluoromalonamide

Structural Information

Molecular Formula
C3H4F2N2O2
SMILES
C(=O)(C(C(=O)N)(F)F)N
InChI
InChI=1S/C3H4F2N2O2/c4-3(5,1(6)8)2(7)9/h(H2,6,8)(H2,7,9)
InChIKey
JOAFJXFAASLOHI-UHFFFAOYSA-N
Compound name
2,2-difluoropropanediamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

85
Patents

138.02408 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.03136 121.5
[M+Na]+ 161.01330 128.8
[M-H]- 137.01680 118.7
[M+NH4]+ 156.05790 141.7
[M+K]+ 176.98724 128.7
[M+H-H2O]+ 121.02134 115.3
[M+HCOO]- 183.02228 142.3
[M+CH3COO]- 197.03793 176.1
[M+Na-2H]- 158.99875 125.4
[M]+ 138.02353 115.1
[M]- 138.02463 115.1
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