CID 9588285

N-(2,4-dinitrophenyl)butanehydrazonoyl bromide

Structural Information

Molecular Formula
C10H11BrN4O4
SMILES
CCC/C(=N/NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])/Br
InChI
InChI=1S/C10H11BrN4O4/c1-2-3-10(11)13-12-8-5-4-7(14(16)17)6-9(8)15(18)19/h4-6,12H,2-3H2,1H3/b13-10-
InChIKey
XIGXIEGQYHTJEE-RAXLEYEMSA-N
Compound name
(1Z)-N-(2,4-dinitrophenyl)butanehydrazonoyl bromide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.99637 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.00365 171.8
[M+Na]+ 352.98559 176.5
[M+NH4]+ 348.03019 178.7
[M+K]+ 368.95953 183.7
[M-H]- 328.98909 167.5
[M+Na-2H]- 350.97104 168.9
[M]+ 329.99582 172.8
[M]- 329.99692 172.8
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.