CID 483895

[4-chloro-2-[(z)-(4-chlorodithiazol-5-ylidene)amino]phenyl]methanol

Structural Information

Molecular Formula
C9H6Cl2N2OS2
SMILES
C1=CC(=C(C=C1Cl)N=C2C(=NSS2)Cl)CO
InChI
InChI=1S/C9H6Cl2N2OS2/c10-6-2-1-5(4-14)7(3-6)12-9-8(11)13-16-15-9/h1-3,14H,4H2
InChIKey
DILHPLQPVKYNOB-UHFFFAOYSA-N
Compound name
[4-chloro-2-[(4-chlorodithiazol-5-ylidene)amino]phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.92987 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.93715 156.4
[M+Na]+ 314.91909 168.6
[M-H]- 290.92259 162.6
[M+NH4]+ 309.96369 174.8
[M+K]+ 330.89303 161.2
[M+H-H2O]+ 274.92713 152.0
[M+HCOO]- 336.92807 162.9
[M+CH3COO]- 350.94372 168.9
[M+Na-2H]- 312.90454 156.4
[M]+ 291.92932 161.9
[M]- 291.93042 161.9
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.