CID 2757699

78862-75-6

Structural Information

Molecular Formula

C₈H₁₀ClN₃S

SMILES

CC1=C(C=C(C=C1)NC(=S)NN)Cl

InChI

InChI=1S/C8H10ClN3S/c1-5-2-3-6(4-7(5)9)11-8(13)12-10/h2-4H,10H2,1H3,(H2,11,12,13)

InChIKey

AXMJKVNNZKVUKY-UHFFFAOYSA-N

Compound name

1-amino-3-(3-chloro-4-methylphenyl)thiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 215.0284 Da
Monoisotopic Mass: 2.5
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]+	216.03568	144.7
[M+Na]+	238.01762	155.2
[M+NH4]+	233.06222	153.4
[M+K]+	253.99156	147.1
[M-H]-	214.02112	148.3
[M+Na-2H]-	236.00307	150.6
[M]+	215.02785	147.7
[M]-	215.02895	147.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe