CID 3005602

Ammonium 3-phenyldithiocarbazate

Structural Information

Molecular Formula

C₇H₈N₂S₂

SMILES

C1=CC=C(C=C1)NNC(=S)S

InChI

InChI=1S/C7H8N2S2/c10-7(11)9-8-6-4-2-1-3-5-6/h1-5,8H,(H2,9,10,11)

InChIKey

AHXKSXLKMOANIS-UHFFFAOYSA-N

Compound name

anilinocarbamodithioic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 1
Patents: 184.0129 Da
Monoisotopic Mass: 1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	185.02018	133.5
[M+Na]+	207.00212	140.4
[M-H]-	183.00562	136.8
[M+NH4]+	202.04672	153.1
[M+K]+	222.97606	135.6
[M+H-H2O]+	167.01016	127.2
[M+HCOO]-	229.01110	148.3
[M+CH3COO]-	243.02675	183.0
[M+Na-2H]-	204.98757	136.9
[M]+	184.01235	132.5
[M]-	184.01345	132.5

Literature stripe

literature stripe

Patent stripe

patents stripe