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]+ 210.031626 149.6
[M+Na]+ 232.013568 159.5
[M-H]- 208.017074 151.5
[M+NH4]+ 227.058173 166.4
[M+K]+ 247.987508 150.5
[M+H-H2O]+ 192.021610 143.0
[M+HCOO]- 254.022551 164.0
[M+CH3COO]- 268.038201 187.6
[M+Na-2H]- 229.999016 153.7
[M]+ 209.02380142 144.2
[M]- 209.02489858 144.2
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

No patent data available for this compound.