CID 16771464

317319-14-5

Structural Information

Molecular Formula
C7H5F2NS
SMILES
C1=CC(=C(C=C1C(=S)N)F)F
InChI
InChI=1S/C7H5F2NS/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H2,10,11)
InChIKey
BVZJSQFOGOEVMF-UHFFFAOYSA-N
Compound name
3,4-difluorobenzenecarbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

109
Patents

173.01108 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.01836 128.3
[M+Na]+ 196.00030 137.7
[M-H]- 172.00380 129.6
[M+NH4]+ 191.04490 148.9
[M+K]+ 211.97424 133.8
[M+H-H2O]+ 156.00834 121.2
[M+HCOO]- 218.00928 145.4
[M+CH3COO]- 232.02493 180.9
[M+Na-2H]- 193.98575 129.8
[M]+ 173.01053 125.0
[M]- 173.01163 125.0
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

patents stripe