CID 38390

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

Structural Information

Molecular Formula
C16H17Br2N3
SMILES
C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N(CCBr)CCBr
InChI
InChI=1S/C16H17Br2N3/c17-10-12-21(13-11-18)16-8-6-15(7-9-16)20-19-14-4-2-1-3-5-14/h1-9H,10-13H2
InChIKey
SZBBTDBCVFKMFL-UHFFFAOYSA-N
Compound name
N,N-bis(2-bromoethyl)-4-phenyldiazenylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.9789 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.98618 170.0
[M+Na]+ 431.96812 177.0
[M-H]- 407.97162 180.7
[M+NH4]+ 427.01272 185.6
[M+K]+ 447.94206 161.6
[M+H-H2O]+ 391.97616 173.9
[M+HCOO]- 453.97710 190.3
[M+CH3COO]- 467.99275 229.6
[M+Na-2H]- 429.95357 176.8
[M]+ 408.97835 205.0
[M]- 408.97945 205.0
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.