CID 4596836

537672-41-6

Structural Information

Molecular Formula
C11H15BrN2O
SMILES
CCCCNNC(=O)C1=CC=C(C=C1)Br
InChI
InChI=1S/C11H15BrN2O/c1-2-3-8-13-14-11(15)9-4-6-10(12)7-5-9/h4-7,13H,2-3,8H2,1H3,(H,14,15)
InChIKey
BVQCFCYPFJOOAV-UHFFFAOYSA-N
Compound name
4-bromo-N'-butylbenzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

101
Patents

270.03677 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.044046 153.6
[M+Na]+ 293.025988 162.2
[M-H]- 269.029494 159.2
[M+NH4]+ 288.070593 172.8
[M+K]+ 308.999928 150.4
[M+H-H2O]+ 253.034030 151.7
[M+HCOO]- 315.034971 176.0
[M+CH3COO]- 329.050621 199.0
[M+Na-2H]- 291.011436 159.9
[M]+ 270.03622142 171.3
[M]- 270.03731858 171.3
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