CID 2730995

66298-10-0

Structural Information

Molecular Formula
C8H10ClN3S
SMILES
CC1=C(C=C(C=C1)Cl)NC(=S)NN
InChI
InChI=1S/C8H10ClN3S/c1-5-2-3-6(9)4-7(5)11-8(13)12-10/h2-4H,10H2,1H3,(H2,11,12,13)
InChIKey
MNHFCGWLGJWPMN-UHFFFAOYSA-N
Compound name
1-amino-3-(5-chloro-2-methylphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

215.0284 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.03568 144.1
[M+Na]+ 238.01762 152.1
[M-H]- 214.02112 147.7
[M+NH4]+ 233.06222 163.3
[M+K]+ 253.99156 146.6
[M+H-H2O]+ 198.02566 138.9
[M+HCOO]- 260.02660 160.4
[M+CH3COO]- 274.04225 191.0
[M+Na-2H]- 236.00307 146.5
[M]+ 215.02785 143.6
[M]- 215.02895 143.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.