CID 21224765

2-chloro-6-sulfanylbenzonitrile

Structural Information

Molecular Formula
C7H4ClNS
SMILES
C1=CC(=C(C(=C1)Cl)C#N)S
InChI
InChI=1S/C7H4ClNS/c8-6-2-1-3-7(10)5(6)4-9/h1-3,10H
InChIKey
LEVUFKZOZYIXFZ-UHFFFAOYSA-N
Compound name
2-chloro-6-sulfanylbenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

168.9753 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.98258 125.5
[M+Na]+ 191.96452 139.7
[M+NH4]+ 187.00912 132.6
[M+K]+ 207.93846 127.9
[M-H]- 167.96802 121.8
[M+Na-2H]- 189.94997 131.1
[M]+ 168.97475 126.5
[M]- 168.97585 126.5
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

patents stripe