CID 53020

74305-98-9

Structural Information

Molecular Formula
C10H13BrN2O
SMILES
CCCC(=O)NNC1=CC=C(C=C1)Br
InChI
InChI=1S/C10H13BrN2O/c1-2-3-10(14)13-12-9-6-4-8(11)5-7-9/h4-7,12H,2-3H2,1H3,(H,13,14)
InChIKey
STPHYKOKHWXZMH-UHFFFAOYSA-N
Compound name
N'-(4-bromophenyl)butanehydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.02112 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.02840 149.0
[M+Na]+ 279.01034 158.1
[M-H]- 255.01384 154.8
[M+NH4]+ 274.05494 168.8
[M+K]+ 294.98428 146.5
[M+H-H2O]+ 239.01838 147.3
[M+HCOO]- 301.01932 171.7
[M+CH3COO]- 315.03497 196.2
[M+Na-2H]- 276.99579 155.9
[M]+ 256.02057 166.4
[M]- 256.02167 166.4
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.