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]+ 202.026546 137.5
[M+Na]+ 224.008488 146.0
[M-H]- 200.011994 141.7
[M+NH4]+ 219.053093 157.4
[M+K]+ 239.982428 144.3
[M+H-H2O]+ 184.016530 132.7
[M+HCOO]- 246.017471 157.9
[M+CH3COO]- 260.033121 183.7
[M+Na-2H]- 221.993936 143.0
[M]+ 201.01872142 141.0
[M]- 201.01981858 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