CID 5095994

Methyl n-(3-chlorophenyl)-n-hydroxycarbamate

Structural Information

Molecular Formula
C8H8ClNO3
SMILES
COC(=O)N(C1=CC(=CC=C1)Cl)O
InChI
InChI=1S/C8H8ClNO3/c1-13-8(11)10(12)7-4-2-3-6(9)5-7/h2-5,12H,1H3
InChIKey
YVVWFHDYRQYUHQ-UHFFFAOYSA-N
Compound name
methyl N-(3-chlorophenyl)-N-hydroxycarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.01927 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.02655 137.5
[M+Na]+ 224.00849 146.0
[M-H]- 200.01199 141.7
[M+NH4]+ 219.05309 157.4
[M+K]+ 239.98243 144.3
[M+H-H2O]+ 184.01653 132.7
[M+HCOO]- 246.01747 157.9
[M+CH3COO]- 260.03312 183.7
[M+Na-2H]- 221.99394 143.0
[M]+ 201.01872 141.0
[M]- 201.01982 141.0
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