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]+ 201.006146 136.6
[M+Na]+ 222.988088 144.1
[M-H]- 198.991594 140.3
[M+NH4]+ 218.032693 155.3
[M+K]+ 238.962028 137.5
[M+H-H2O]+ 182.996130 136.4
[M+HCOO]- 244.997071 158.9
[M+CH3COO]- 259.012721 177.3
[M+Na-2H]- 220.973536 144.4
[M]+ 199.99832142 136.3
[M]- 199.99941858 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

literature stripe

Patent stripe

patents stripe