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]+ 166.04335 137.6
[M+Na]+ 188.02529 147.3
[M-H]- 164.02879 141.2
[M+NH4]+ 183.06989 156.0
[M+K]+ 203.99923 144.2
[M+H-H2O]+ 148.03333 125.3
[M+HCOO]- 210.03427 155.0
[M+CH3COO]- 224.04992 192.9
[M+Na-2H]- 186.01074 141.9
[M]+ 165.03552 131.8
[M]- 165.03662 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.