CID 47664

65542-14-5

Structural Information

Molecular Formula
C15H14ClN3O2
SMILES
CN(CC1=CC=C(C=C1)Cl)N=NC2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C15H14ClN3O2/c1-19(10-11-2-6-13(16)7-3-11)18-17-14-8-4-12(5-9-14)15(20)21/h2-9H,10H2,1H3,(H,20,21)
InChIKey
XUNAJGRWRKIEPV-UHFFFAOYSA-N
Compound name
4-[[(4-chlorophenyl)methyl-methylamino]diazenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.07745 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.08473 168.3
[M+Na]+ 326.06667 181.3
[M+NH4]+ 321.11127 176.2
[M+K]+ 342.04061 173.8
[M-H]- 302.07017 174.3
[M+Na-2H]- 324.05212 177.7
[M]+ 303.07690 172.0
[M]- 303.07800 172.0
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.