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

literature stripe

Patent stripe

patents stripe