CID 21807258

1163123-40-7

Structural Information

Molecular Formula
C7H4FNOS
SMILES
C1=CC2=C(C(=C1)F)NC(=S)O2
InChI
InChI=1S/C7H4FNOS/c8-4-2-1-3-5-6(4)9-7(11)10-5/h1-3H,(H,9,11)
InChIKey
CSVJHSAMTMYAIQ-UHFFFAOYSA-N
Compound name
4-fluoro-3H-1,3-benzoxazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

168.99976 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.00704 129.3
[M+Na]+ 191.98898 142.9
[M+NH4]+ 187.03358 138.2
[M+K]+ 207.96292 136.4
[M-H]- 167.99248 131.1
[M+Na-2H]- 189.97443 134.6
[M]+ 168.99921 132.2
[M]- 169.00031 132.2
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