CID 55280971

2-chloro-5-fluoro-4-hydrazinylpyrimidine

Structural Information

Molecular Formula

C₄H₄ClFN₄

SMILES

C1=C(C(=NC(=N1)Cl)NN)F

InChI

InChI=1S/C4H4ClFN4/c5-4-8-1-2(6)3(9-4)10-7/h1H,7H2,(H,8,9,10)

InChIKey

IMVXJKCVBDUKOZ-UHFFFAOYSA-N

Compound name

(2-chloro-5-fluoropyrimidin-4-yl)hydrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 162.01085 Da
Monoisotopic Mass: 0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	163.01813	126.7
[M+Na]+	185.00007	137.2
[M-H]-	161.00357	126.5
[M+NH4]+	180.04467	145.2
[M+K]+	200.97401	133.4
[M+H-H2O]+	145.00811	119.5
[M+HCOO]-	207.00905	146.0
[M+CH3COO]-	221.02470	179.5
[M+Na-2H]-	182.98552	134.8
[M]+	162.01030	124.9
[M]-	162.01140	124.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe