CID 2779521

130560-97-3

Structural Information

Molecular Formula
C7H5ClFNS
SMILES
C1=CC(=C(C=C1C(=S)N)Cl)F
InChI
InChI=1S/C7H5ClFNS/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,(H2,10,11)
InChIKey
RSGPCKCTKDCMRR-UHFFFAOYSA-N
Compound name
3-chloro-4-fluorobenzenecarbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

188.98152 Da
Monoisotopic Mass

2.2
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

No literature data available for this compound.

Patent stripe

patents stripe