CID 21615038

3,3,3-trifluoropropanamide

Structural Information

Molecular Formula
C3H4F3NO
SMILES
C(C(=O)N)C(F)(F)F
InChI
InChI=1S/C3H4F3NO/c4-3(5,6)1-2(7)8/h1H2,(H2,7,8)
InChIKey
MZBSJLAGBUNNLH-UHFFFAOYSA-N
Compound name
3,3,3-trifluoropropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

937
Patents

127.0245 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.03178 118.4
[M+Na]+ 150.01372 126.7
[M-H]- 126.01722 114.8
[M+NH4]+ 145.05832 139.9
[M+K]+ 165.98766 126.3
[M+H-H2O]+ 110.02176 111.9
[M+HCOO]- 172.02270 138.3
[M+CH3COO]- 186.03835 171.9
[M+Na-2H]- 147.99917 123.9
[M]+ 127.02395 112.4
[M]- 127.02505 112.4
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