CID 17884235

3,3-difluoropropanamide

Structural Information

Molecular Formula
C3H5F2NO
SMILES
C(C(F)F)C(=O)N
InChI
InChI=1S/C3H5F2NO/c4-2(5)1-3(6)7/h2H,1H2,(H2,6,7)
InChIKey
YPPSSYNABRBHKG-UHFFFAOYSA-N
Compound name
3,3-difluoropropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

151
Patents

109.03392 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.041196 116.7
[M+Na]+ 132.023138 124.1
[M-H]- 108.026644 114.2
[M+NH4]+ 127.067743 138.7
[M+K]+ 147.997078 124.2
[M+H-H2O]+ 92.031180 110.5
[M+HCOO]- 154.032121 138.1
[M+CH3COO]- 168.047771 170.4
[M+Na-2H]- 130.008586 120.7
[M]+ 109.03337142 111.9
[M]- 109.03446858 111.9
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