CID 200660

2-chlorophenylthiocyanate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

168.9753 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.98258 126.4
[M+Na]+ 191.96452 140.3
[M+NH4]+ 187.00912 133.5
[M+K]+ 207.93846 128.2
[M-H]- 167.96802 122.7
[M+Na-2H]- 189.94997 132.1
[M]+ 168.97475 127.4
[M]- 168.97585 127.4
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