CID 98732

1-benzoyl-4-(2-chloroethyl)semicarbazide

Structural Information

Molecular Formula
C10H12ClN3O2
SMILES
C1=CC=C(C=C1)C(=O)NNC(=O)NCCCl
InChI
InChI=1S/C10H12ClN3O2/c11-6-7-12-10(16)14-13-9(15)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,13,15)(H2,12,14,16)
InChIKey
FYWBIKBVOIBXFR-UHFFFAOYSA-N
Compound name
1-benzamido-3-(2-chloroethyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.0618 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.06908 152.6
[M+Na]+ 264.05102 158.0
[M-H]- 240.05452 155.9
[M+NH4]+ 259.09562 169.8
[M+K]+ 280.02496 154.6
[M+H-H2O]+ 224.05906 146.3
[M+HCOO]- 286.06000 174.3
[M+CH3COO]- 300.07565 194.5
[M+Na-2H]- 262.03647 158.1
[M]+ 241.06125 152.6
[M]- 241.06235 152.6
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.