CID 9576174

59176-08-8

Structural Information

Molecular Formula
C7H6ClNO3
SMILES
CO/N=C(/C1=CC=CO1)\C(=O)Cl
InChI
InChI=1S/C7H6ClNO3/c1-11-9-6(7(8)10)5-3-2-4-12-5/h2-4H,1H3/b9-6-
InChIKey
HCJIHHSBMCGTGF-TWGQIWQCSA-N
Compound name
(2Z)-2-(furan-2-yl)-2-methoxyiminoacetyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

187.00362 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.010896 136.5
[M+Na]+ 209.992838 144.9
[M-H]- 185.996344 142.3
[M+NH4]+ 205.037443 157.6
[M+K]+ 225.966778 144.5
[M+H-H2O]+ 170.000880 131.4
[M+HCOO]- 232.001821 158.4
[M+CH3COO]- 246.017471 181.9
[M+Na-2H]- 207.978286 142.1
[M]+ 187.00307142 141.5
[M]- 187.00416858 141.5
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

patents stripe