CID 3456503

N-(2-chloro-6-methylphenyl)cyanothioformamide

Structural Information

Molecular Formula
C9H7ClN2S
SMILES
CC1=C(C(=CC=C1)Cl)NC(=S)C#N
InChI
InChI=1S/C9H7ClN2S/c1-6-3-2-4-7(10)9(6)12-8(13)5-11/h2-4H,1H3,(H,12,13)
InChIKey
RJMUXFMFTCIFLB-UHFFFAOYSA-N
Compound name
N-(2-chloro-6-methylphenyl)-1-cyanomethanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.00185 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.00913 148.7
[M+Na]+ 232.99107 160.1
[M-H]- 208.99457 153.1
[M+NH4]+ 228.03567 167.2
[M+K]+ 248.96501 154.9
[M+H-H2O]+ 192.99911 137.8
[M+HCOO]- 255.00005 160.5
[M+CH3COO]- 269.01570 198.2
[M+Na-2H]- 230.97652 150.5
[M]+ 210.00130 146.0
[M]- 210.00240 146.0
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.