CID 36669

2,2,2-trifluoro-n'-phenylacetohydrazide

Structural Information

Molecular Formula
C8H7F3N2O
SMILES
C1=CC=C(C=C1)NNC(=O)C(F)(F)F
InChI
InChI=1S/C8H7F3N2O/c9-8(10,11)7(14)13-12-6-4-2-1-3-5-6/h1-5,12H,(H,13,14)
InChIKey
HWPBXYPSTIZFGV-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-N'-phenylacetohydrazide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

45
Patents

204.05104 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.058316 137.5
[M+Na]+ 227.040258 144.3
[M-H]- 203.043764 137.2
[M+NH4]+ 222.084863 155.6
[M+K]+ 243.014198 142.0
[M+H-H2O]+ 187.048300 128.8
[M+HCOO]- 249.049241 159.1
[M+CH3COO]- 263.064891 187.3
[M+Na-2H]- 225.025706 144.4
[M]+ 204.05049142 131.3
[M]- 204.05158858 131.3
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