CID 165591329

Methyl 2-(2-chlorophenyl)-2-isocyanoacetate

Structural Information

Molecular Formula
C10H8ClNO2
SMILES
COC(=O)C(C1=CC=CC=C1Cl)[N+]#[C-]
InChI
InChI=1S/C10H8ClNO2/c1-12-9(10(13)14-2)7-5-3-4-6-8(7)11/h3-6,9H,2H3
InChIKey
BFMCKTVRDFTOAU-UHFFFAOYSA-N
Compound name
methyl 2-(2-chlorophenyl)-2-isocyanoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.02435 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.03163 140.4
[M+Na]+ 232.01357 154.2
[M+NH4]+ 227.05817 145.7
[M+K]+ 247.98751 146.6
[M-H]- 208.01707 135.8
[M+Na-2H]- 229.99902 144.3
[M]+ 209.02380 140.5
[M]- 209.02490 140.5
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.