CID 42105

Bayer 80283

Structural Information

Molecular Formula

C₁₀H₁₃Cl₂N₃

SMILES

CC(C)N=C(N)NC1=CC(=C(C=C1)Cl)Cl

InChI

InChI=1S/C10H13Cl2N3/c1-6(2)14-10(13)15-7-3-4-8(11)9(12)5-7/h3-6H,1-2H3,(H3,13,14,15)

InChIKey

NOLBMHUJUOIAFK-UHFFFAOYSA-N

Compound name

1-(3,4-dichlorophenyl)-2-propan-2-ylguanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 245.04866 Da
Monoisotopic Mass: 3.5
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]+	246.05594	155.8
[M+Na]+	268.03788	163.6
[M-H]-	244.04138	159.8
[M+NH4]+	263.08248	174.4
[M+K]+	284.01182	158.7
[M+H-H2O]+	228.04592	151.0
[M+HCOO]-	290.04686	172.5
[M+CH3COO]-	304.06251	201.1
[M+Na-2H]-	266.02333	158.2
[M]+	245.04811	156.6
[M]-	245.04921	156.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe