CID 11806789

189813-45-4

Structural Information

Molecular Formula
C11H12ClNO3
SMILES
COC(=O)/C(=N/OC)/C1=CC=CC=C1CCl
InChI
InChI=1S/C11H12ClNO3/c1-15-11(14)10(13-16-2)9-6-4-3-5-8(9)7-12/h3-6H,7H2,1-2H3/b13-10+
InChIKey
GMZGDMPLWXWBQJ-JLHYYAGUSA-N
Compound name
methyl (2E)-2-[2-(chloromethyl)phenyl]-2-methoxyiminoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

241.05057 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.05785 150.1
[M+Na]+ 264.03979 158.1
[M-H]- 240.04329 155.2
[M+NH4]+ 259.08439 169.0
[M+K]+ 280.01373 155.9
[M+H-H2O]+ 224.04783 144.4
[M+HCOO]- 286.04877 171.2
[M+CH3COO]- 300.06442 194.4
[M+Na-2H]- 262.02524 154.5
[M]+ 241.05002 155.9
[M]- 241.05112 155.9
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