CID 5706363

1011-84-3

Structural Information

Molecular Formula
C7H5ClN2O3
SMILES
C1=CC(=CC=C1/C(=N/O)/Cl)[N+](=O)[O-]
InChI
InChI=1S/C7H5ClN2O3/c8-7(9-11)5-1-3-6(4-2-5)10(12)13/h1-4,11H/b9-7-
InChIKey
PIQHICJFBSZFMS-CLFYSBASSA-N
Compound name
(1Z)-N-hydroxy-4-nitrobenzenecarboximidoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

199.99887 Da
Monoisotopic Mass

2.5
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

literature stripe

Patent stripe

patents stripe