CID 10797208

5-fluorobenzoxazole-2-thiol

Structural Information

Molecular Formula
C7H4FNOS
SMILES
C1=CC2=C(C=C1F)NC(=S)O2
InChI
InChI=1S/C7H4FNOS/c8-4-1-2-6-5(3-4)9-7(11)10-6/h1-3H,(H,9,11)
InChIKey
UVHVJSJZCPFGET-UHFFFAOYSA-N
Compound name
5-fluoro-3H-1,3-benzoxazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

114
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 125.4
[M+Na]+ 191.98898 138.8
[M-H]- 167.99248 128.4
[M+NH4]+ 187.03358 147.0
[M+K]+ 207.96292 135.2
[M+H-H2O]+ 151.99702 120.1
[M+HCOO]- 213.99796 143.6
[M+CH3COO]- 228.01361 140.7
[M+Na-2H]- 189.97443 131.4
[M]+ 168.99921 127.9
[M]- 169.00031 127.9
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