CID 199162

3778-85-6

Structural Information

Molecular Formula
C8H9ClN2S
SMILES
C1=CC=C(C(=C1)CSC(=N)N)Cl
InChI
InChI=1S/C8H9ClN2S/c9-7-4-2-1-3-6(7)5-12-8(10)11/h1-4H,5H2,(H3,10,11)
InChIKey
SFKYKNIIEFCNBX-UHFFFAOYSA-N
Compound name
(2-chlorophenyl)methyl carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

8
Patents

200.0175 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.02478 139.6
[M+Na]+ 223.00672 147.6
[M-H]- 199.01022 143.0
[M+NH4]+ 218.05132 159.5
[M+K]+ 238.98066 142.2
[M+H-H2O]+ 183.01476 134.7
[M+HCOO]- 245.01570 155.0
[M+CH3COO]- 259.03135 185.4
[M+Na-2H]- 220.99217 142.4
[M]+ 200.01695 139.6
[M]- 200.01805 139.6
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

patents stripe