CID 2756318

Alpha-chloro-3-nitrobenzaldoxime

Structural Information

Molecular Formula
C7H5ClN2O3
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C(=NO)Cl
InChI
InChI=1S/C7H5ClN2O3/c8-7(9-11)5-2-1-3-6(4-5)10(12)13/h1-4,11H
InChIKey
LSAGTJSJWCRWAZ-UHFFFAOYSA-N
Compound name
N-hydroxy-3-nitrobenzenecarboximidoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

199.99887 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.00615 135.4
[M+Na]+ 222.98809 148.5
[M+NH4]+ 218.03269 143.6
[M+K]+ 238.96203 145.4
[M-H]- 198.99159 138.7
[M+Na-2H]- 220.97354 142.2
[M]+ 199.99832 138.2
[M]- 199.99942 138.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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