CID 2737263

5-fluorobenzo-2,1,3-thiadiazole

Structural Information

Molecular Formula
C6H3FN2S
SMILES
C1=CC2=NSN=C2C=C1F
InChI
InChI=1S/C6H3FN2S/c7-4-1-2-5-6(3-4)9-10-8-5/h1-3H
InChIKey
LNZHAYNBUMVVBK-UHFFFAOYSA-N
Compound name
5-fluoro-2,1,3-benzothiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

154.00009 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.00737 122.1
[M+Na]+ 176.98931 135.2
[M-H]- 152.99281 124.2
[M+NH4]+ 172.03391 144.7
[M+K]+ 192.96325 131.9
[M+H-H2O]+ 136.99735 115.5
[M+HCOO]- 198.99829 141.3
[M+CH3COO]- 213.01394 137.4
[M+Na-2H]- 174.97476 128.8
[M]+ 153.99954 124.9
[M]- 154.00064 124.9
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