CID 4341982

3,3'-dichloro-4,4'-dihydroxyazobenzene

Structural Information

Molecular Formula
C12H8Cl2N2O2
SMILES
C1=CC(=C(C=C1N=NC2=CC(=C(C=C2)O)Cl)Cl)O
InChI
InChI=1S/C12H8Cl2N2O2/c13-9-5-7(1-3-11(9)17)15-16-8-2-4-12(18)10(14)6-8/h1-6,17-18H
InChIKey
WTIAICHPBWPDQK-UHFFFAOYSA-N
Compound name
2-chloro-4-[(3-chloro-4-hydroxyphenyl)diazenyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

281.99628 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.00356 158.0
[M+Na]+ 304.98550 168.9
[M-H]- 280.98900 165.0
[M+NH4]+ 300.03010 175.2
[M+K]+ 320.95944 162.9
[M+H-H2O]+ 264.99354 152.4
[M+HCOO]- 326.99448 176.0
[M+CH3COO]- 341.01013 201.3
[M+Na-2H]- 302.97095 163.5
[M]+ 281.99573 162.2
[M]- 281.99683 162.2
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