CID 86934

1-acetyl-4-(4-chlorophenyl)semicarbazide

Structural Information

Molecular Formula
C9H10ClN3O2
SMILES
CC(=O)NNC(=O)NC1=CC=C(C=C1)Cl
InChI
InChI=1S/C9H10ClN3O2/c1-6(14)12-13-9(15)11-8-4-2-7(10)3-5-8/h2-5H,1H3,(H,12,14)(H2,11,13,15)
InChIKey
UBENNUHYTNPAOA-UHFFFAOYSA-N
Compound name
1-acetamido-3-(4-chlorophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.04616 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.05344 148.3
[M+Na]+ 250.03538 155.1
[M-H]- 226.03888 152.2
[M+NH4]+ 245.07998 166.5
[M+K]+ 266.00932 152.0
[M+H-H2O]+ 210.04342 142.6
[M+HCOO]- 272.04436 170.4
[M+CH3COO]- 286.06001 192.7
[M+Na-2H]- 248.02083 153.6
[M]+ 227.04561 148.3
[M]- 227.04671 148.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.