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 166.5
[M+Na]+ 352.98559 173.4
[M-H]- 328.98909 173.0
[M+NH4]+ 348.03019 181.5
[M+K]+ 368.95953 155.2
[M+H-H2O]+ 312.99363 171.0
[M+HCOO]- 374.99457 191.1
[M+CH3COO]- 389.01022 200.5
[M+Na-2H]- 350.97104 174.5
[M]+ 329.99582 182.3
[M]- 329.99692 182.3
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

No patent data available for this compound.