CID 6410698

1-(phenylthio)phthalazine

Structural Information

Molecular Formula
C14H10N2S
SMILES
C1=CC=C(C=C1)SC2=NN=CC3=CC=CC=C32
InChI
InChI=1S/C14H10N2S/c1-2-7-12(8-3-1)17-14-13-9-5-4-6-11(13)10-15-16-14/h1-10H
InChIKey
ZFYCMRGBNKNQOG-UHFFFAOYSA-N
Compound name
1-phenylsulfanylphthalazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.05647 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.06375 149.1
[M+Na]+ 261.04569 166.7
[M+NH4]+ 256.09029 159.8
[M+K]+ 277.01963 155.0
[M-H]- 237.04919 155.1
[M+Na-2H]- 259.03114 160.6
[M]+ 238.05592 154.2
[M]- 238.05702 154.2
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

No patent data available for this compound.