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]+ 110.04120 116.7
[M+Na]+ 132.02314 124.1
[M-H]- 108.02664 114.2
[M+NH4]+ 127.06774 138.7
[M+K]+ 147.99708 124.2
[M+H-H2O]+ 92.031180 110.5
[M+HCOO]- 154.03212 138.1
[M+CH3COO]- 168.04777 170.4
[M+Na-2H]- 130.00859 120.7
[M]+ 109.03337 111.9
[M]- 109.03447 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