CID 4085653

1-(3-chloro-4-methylphenyl)-3-hydroxyurea

Structural Information

Molecular Formula
C8H9ClN2O2
SMILES
CC1=C(C=C(C=C1)NC(=O)NO)Cl
InChI
InChI=1S/C8H9ClN2O2/c1-5-2-3-6(4-7(5)9)10-8(12)11-13/h2-4,13H,1H3,(H2,10,11,12)
InChIKey
MALCQLIRGLSWGK-UHFFFAOYSA-N
Compound name
1-(3-chloro-4-methylphenyl)-3-hydroxyurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

200.03525 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.042526 139.8
[M+Na]+ 223.024468 148.3
[M-H]- 199.027974 142.7
[M+NH4]+ 218.069073 159.1
[M+K]+ 238.998408 144.6
[M+H-H2O]+ 183.032510 135.1
[M+HCOO]- 245.033451 160.4
[M+CH3COO]- 259.049101 184.5
[M+Na-2H]- 221.009916 145.4
[M]+ 200.03470142 140.2
[M]- 200.03579858 140.2
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

patents stripe