CID 38391

Azobenzene, 4-bis(2-bromoethyl)amino-2'-carboxy-

Structural Information

Molecular Formula
C17H17Br2N3O2
SMILES
C1=CC=C(C(=C1)C(=O)O)N=NC2=CC=C(C=C2)N(CCBr)CCBr
InChI
InChI=1S/C17H17Br2N3O2/c18-9-11-22(12-10-19)14-7-5-13(6-8-14)20-21-16-4-2-1-3-15(16)17(23)24/h1-8H,9-12H2,(H,23,24)
InChIKey
PIQIZIYEJRPTJV-UHFFFAOYSA-N
Compound name
2-[[4-[bis(2-bromoethyl)amino]phenyl]diazenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.96875 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.97603 178.2
[M+Na]+ 475.95797 184.5
[M-H]- 451.96147 187.8
[M+NH4]+ 471.00257 191.5
[M+K]+ 491.93191 168.9
[M+H-H2O]+ 435.96601 181.4
[M+HCOO]- 497.96695 196.5
[M+CH3COO]- 511.98260 234.0
[M+Na-2H]- 473.94342 182.6
[M]+ 452.96820 213.1
[M]- 452.96930 213.1
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.