CID 22029213

401567-35-9

Structural Information

Molecular Formula
C8H6FNS2
SMILES
CSC1=NC2=C(S1)C=C(C=C2)F
InChI
InChI=1S/C8H6FNS2/c1-11-8-10-6-3-2-5(9)4-7(6)12-8/h2-4H,1H3
InChIKey
SKSSHVKYRCKYHL-UHFFFAOYSA-N
Compound name
6-fluoro-2-methylsulfanyl-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

198.99257 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.99985 132.1
[M+Na]+ 221.98179 145.5
[M-H]- 197.98529 135.5
[M+NH4]+ 217.02639 154.8
[M+K]+ 237.95573 140.7
[M+H-H2O]+ 181.98983 126.6
[M+HCOO]- 243.99077 146.3
[M+CH3COO]- 258.00642 146.8
[M+Na-2H]- 219.96724 135.0
[M]+ 198.99202 136.7
[M]- 198.99312 136.7
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