CID 370454

Nsc643585

Structural Information

Molecular Formula
C9H10FN3O2
SMILES
C1=CC=C(C(=C1)NC(=O)CC(=O)NN)F
InChI
InChI=1S/C9H10FN3O2/c10-6-3-1-2-4-7(6)12-8(14)5-9(15)13-11/h1-4H,5,11H2,(H,12,14)(H,13,15)
InChIKey
FNIRLWINUQJFMS-UHFFFAOYSA-N
Compound name
N-(2-fluorophenyl)-3-hydrazinyl-3-oxopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

211.0757 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.08298 143.3
[M+Na]+ 234.06492 149.1
[M-H]- 210.06842 145.3
[M+NH4]+ 229.10952 160.6
[M+K]+ 250.03886 147.2
[M+H-H2O]+ 194.07296 135.4
[M+HCOO]- 256.07390 168.0
[M+CH3COO]- 270.08955 192.4
[M+Na-2H]- 232.05037 147.4
[M]+ 211.07515 139.1
[M]- 211.07625 139.1
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

No patent data available for this compound.