CID 9571037

Chlorproguanil

Structural Information

Molecular Formula

C₁₁H₁₅Cl₂N₅

SMILES

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

InChI

InChI=1S/C11H15Cl2N5/c1-6(2)16-10(14)18-11(15)17-7-3-4-8(12)9(13)5-7/h3-6H,1-2H3,(H5,14,15,16,17,18)

InChIKey

ISZNZKHCRKXXAU-UHFFFAOYSA-N

Compound name

(1E)-1-[amino-(3,4-dichloroanilino)methylidene]-2-propan-2-ylguanidine

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 113
References: 1805
Patents: 287.07047 Da
Monoisotopic Mass: 3.0
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]+	288.07775	170.6
[M+Na]+	310.05969	176.9
[M-H]-	286.06319	175.4
[M+NH4]+	305.10429	187.1
[M+K]+	326.03363	172.5
[M+H-H2O]+	270.06773	164.8
[M+HCOO]-	332.06867	189.0
[M+CH3COO]-	346.08432	214.9
[M+Na-2H]-	308.04514	171.0
[M]+	287.06992	169.9
[M]-	287.07102	169.9

Literature stripe

literature stripe

Patent stripe

patents stripe