CID 6898724

2-chloro-5-nitrobenzaldehyde oxime

Structural Information

Molecular Formula
C7H5ClN2O3
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])/C=N/O)Cl
InChI
InChI=1S/C7H5ClN2O3/c8-7-2-1-6(10(12)13)3-5(7)4-9-11/h1-4,11H/b9-4+
InChIKey
BCVYAFHZIZEYLS-RUDMXATFSA-N
Compound name
(NE)-N-[(2-chloro-5-nitrophenyl)methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

199.99887 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.00615 135.3
[M+Na]+ 222.98809 149.1
[M+NH4]+ 218.03269 143.5
[M+K]+ 238.96203 145.3
[M-H]- 198.99159 138.8
[M+Na-2H]- 220.97354 142.1
[M]+ 199.99832 138.3
[M]- 199.99942 138.3
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

patents stripe