CID 3086764

111910-49-7

Structural Information

Molecular Formula
C14H11Cl2N3OS
SMILES
C1=CC(=CC=C1C(=O)SC2=C(C=CC(=C2)Cl)Cl)N=C(N)N
InChI
InChI=1S/C14H11Cl2N3OS/c15-9-3-6-11(16)12(7-9)21-13(20)8-1-4-10(5-2-8)19-14(17)18/h1-7H,(H4,17,18,19)
InChIKey
UQLYAKGTMZIBFA-UHFFFAOYSA-N
Compound name
S-(2,5-dichlorophenyl) 4-(diaminomethylideneamino)benzenecarbothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.0 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.00728 174.0
[M+Na]+ 361.98922 182.3
[M-H]- 337.99272 180.9
[M+NH4]+ 357.03382 188.9
[M+K]+ 377.96316 175.1
[M+H-H2O]+ 321.99726 168.2
[M+HCOO]- 383.99820 185.4
[M+CH3COO]- 398.01385 214.1
[M+Na-2H]- 359.97467 173.6
[M]+ 338.99945 176.5
[M]- 339.00055 176.5
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.