CID 424409

4-thiocyanatophenylhydrazine hydrochloride

Structural Information

Molecular Formula
C7H7N3S
SMILES
C1=CC(=CC=C1NN)SC#N
InChI
InChI=1S/C7H7N3S/c8-5-11-7-3-1-6(10-9)2-4-7/h1-4,10H,9H2
InChIKey
DTNTYNCDQLYKOK-UHFFFAOYSA-N
Compound name
(4-hydrazinylphenyl) thiocyanate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.03607 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.043346 137.6
[M+Na]+ 188.025288 147.3
[M-H]- 164.028794 141.2
[M+NH4]+ 183.069893 156.0
[M+K]+ 203.999228 144.2
[M+H-H2O]+ 148.033330 125.3
[M+HCOO]- 210.034271 155.0
[M+CH3COO]- 224.049921 192.9
[M+Na-2H]- 186.010736 141.9
[M]+ 165.03552142 131.8
[M]- 165.03661858 131.8
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

No patent data available for this compound.