CID 7745242

769-05-1

Structural Information

Molecular Formula
C7H5ClFNS
SMILES
C1=CC(=C(C(=C1)Cl)C(=S)N)F
InChI
InChI=1S/C7H5ClFNS/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)
InChIKey
NASRTWJCHNSTFD-UHFFFAOYSA-N
Compound name
2-chloro-6-fluorobenzenecarbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

188.98152 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.98880 131.7
[M+Na]+ 211.97074 141.8
[M-H]- 187.97424 134.4
[M+NH4]+ 207.01534 152.6
[M+K]+ 227.94468 136.4
[M+H-H2O]+ 171.97878 126.7
[M+HCOO]- 233.97972 145.4
[M+CH3COO]- 247.99537 182.0
[M+Na-2H]- 209.95619 133.4
[M]+ 188.98097 131.5
[M]- 188.98207 131.5
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