CID 11521376

1,3-benzothiazole-2-sulfonyl fluoride

Structural Information

Molecular Formula
C7H4FNO2S2
SMILES
C1=CC=C2C(=C1)N=C(S2)S(=O)(=O)F
InChI
InChI=1S/C7H4FNO2S2/c8-13(10,11)7-9-5-3-1-2-4-6(5)12-7/h1-4H
InChIKey
WNKAAUWKENUQEO-UHFFFAOYSA-N
Compound name
1,3-benzothiazole-2-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

216.96675 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.97403 139.1
[M+Na]+ 239.95597 152.4
[M-H]- 215.95947 142.4
[M+NH4]+ 235.00057 160.5
[M+K]+ 255.92991 147.9
[M+H-H2O]+ 199.96401 133.8
[M+HCOO]- 261.96495 152.9
[M+CH3COO]- 275.98060 180.4
[M+Na-2H]- 237.94142 144.0
[M]+ 216.96620 143.7
[M]- 216.96730 143.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe