CID 172907

71832-33-2

Structural Information

Molecular Formula
C11H11ClN2O2
SMILES
CCN(C1=C(C=CC(=C1)N=C=O)C)C(=O)Cl
InChI
InChI=1S/C11H11ClN2O2/c1-3-14(11(12)16)10-6-9(13-7-15)5-4-8(10)2/h4-6H,3H2,1-2H3
InChIKey
JZKGLBABVFZFIL-UHFFFAOYSA-N
Compound name
N-ethyl-N-(5-isocyanato-2-methylphenyl)carbamoyl chloride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

238.0509 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.058176 150.3
[M+Na]+ 261.040118 159.1
[M-H]- 237.043624 157.1
[M+NH4]+ 256.084723 170.0
[M+K]+ 277.014058 156.6
[M+H-H2O]+ 221.048160 144.4
[M+HCOO]- 283.049101 173.9
[M+CH3COO]- 297.064751 200.2
[M+Na-2H]- 259.025566 154.7
[M]+ 238.05035142 155.5
[M]- 238.05144858 155.5
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

No patent data available for this compound.