CID 9570576

Brn 1842590

Structural Information

Molecular Formula
C10H12ClN3O2
SMILES
CCC/C(=N/NC1=CC=C(C=C1)[N+](=O)[O-])/Cl
InChI
InChI=1S/C10H12ClN3O2/c1-2-3-10(11)13-12-8-4-6-9(7-5-8)14(15)16/h4-7,12H,2-3H2,1H3/b13-10-
InChIKey
WLDJRDGXKZWJLL-RAXLEYEMSA-N
Compound name
(1Z)-N-(4-nitrophenyl)butanehydrazonoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.0618 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.06908 152.3
[M+Na]+ 264.05102 158.1
[M-H]- 240.05452 156.7
[M+NH4]+ 259.09562 169.7
[M+K]+ 280.02496 151.1
[M+H-H2O]+ 224.05906 150.8
[M+HCOO]- 286.06000 175.7
[M+CH3COO]- 300.07565 192.0
[M+Na-2H]- 262.03647 159.0
[M]+ 241.06125 152.8
[M]- 241.06235 152.8
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.