CID 2736703

138949-13-0

Structural Information

Molecular Formula

C₇H₇ClF₃N₃

SMILES

CN(C1=C(C=C(C=N1)C(F)(F)F)Cl)N

InChI

InChI=1S/C7H7ClF3N3/c1-14(12)6-5(8)2-4(3-13-6)7(9,10)11/h2-3H,12H2,1H3

InChIKey

YGPUMJSRBNTPNO-UHFFFAOYSA-N

Compound name

1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1-methylhydrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 225.02806 Da
Monoisotopic Mass: 2.1
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]+	226.03534	141.2
[M+Na]+	248.01728	151.2
[M-H]-	224.02078	141.1
[M+NH4]+	243.06188	159.2
[M+K]+	263.99122	147.6
[M+H-H2O]+	208.02532	132.9
[M+HCOO]-	270.02626	157.7
[M+CH3COO]-	284.04191	194.5
[M+Na-2H]-	246.00273	146.3
[M]+	225.02751	138.4
[M]-	225.02861	138.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe