CID 736928

4-bromo-n-(2-hydrazinyl-2-oxoethyl)benzamide (non-preferred name)

Structural Information

Molecular Formula
C9H10BrN3O2
SMILES
C1=CC(=CC=C1C(=O)NCC(=O)NN)Br
InChI
InChI=1S/C9H10BrN3O2/c10-7-3-1-6(2-4-7)9(15)12-5-8(14)13-11/h1-4H,5,11H2,(H,12,15)(H,13,14)
InChIKey
ZXZLSIKFVCPYJT-UHFFFAOYSA-N
Compound name
4-bromo-N-(2-hydrazinyl-2-oxoethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.99564 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.00292 150.1
[M+Na]+ 293.98486 158.4
[M-H]- 269.98836 155.4
[M+NH4]+ 289.02946 168.3
[M+K]+ 309.95880 146.9
[M+H-H2O]+ 253.99290 147.3
[M+HCOO]- 315.99384 172.7
[M+CH3COO]- 330.00949 199.1
[M+Na-2H]- 291.97031 155.5
[M]+ 270.99509 165.2
[M]- 270.99619 165.2
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

patents stripe