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

55
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 136.6
[M+Na]+ 222.98809 144.1
[M-H]- 198.99159 140.3
[M+NH4]+ 218.03269 155.3
[M+K]+ 238.96203 137.5
[M+H-H2O]+ 182.99613 136.4
[M+HCOO]- 244.99707 158.9
[M+CH3COO]- 259.01272 177.3
[M+Na-2H]- 220.97354 144.4
[M]+ 199.99832 136.3
[M]- 199.99942 136.3
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.