CID 375851

Nsc656104

Structural Information

Molecular Formula
C16H14Cl2N2O2
SMILES
C1=CC(=C(C=C1Cl)C=NCCN=CC2=C(C=CC(=C2)Cl)O)O
InChI
InChI=1S/C16H14Cl2N2O2/c17-13-1-3-15(21)11(7-13)9-19-5-6-20-10-12-8-14(18)2-4-16(12)22/h1-4,7-10,21-22H,5-6H2
InChIKey
YCKSRMXJTFAWKD-UHFFFAOYSA-N
Compound name
4-chloro-2-[2-[(5-chloro-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

16
Patents

336.04324 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.05052 175.7
[M+Na]+ 359.03246 185.2
[M-H]- 335.03596 182.1
[M+NH4]+ 354.07706 190.7
[M+K]+ 375.00640 177.8
[M+H-H2O]+ 319.04050 169.3
[M+HCOO]- 381.04144 192.6
[M+CH3COO]- 395.05709 211.7
[M+Na-2H]- 357.01791 179.1
[M]+ 336.04269 180.5
[M]- 336.04379 180.5
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.