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

0
Patents

200.03525 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.04253 139.8
[M+Na]+ 223.02447 148.3
[M-H]- 199.02797 142.7
[M+NH4]+ 218.06907 159.1
[M+K]+ 238.99841 144.6
[M+H-H2O]+ 183.03251 135.1
[M+HCOO]- 245.03345 160.4
[M+CH3COO]- 259.04910 184.5
[M+Na-2H]- 221.00992 145.4
[M]+ 200.03470 140.2
[M]- 200.03580 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