CID 2049887

20358-06-9

Structural Information

Molecular Formula
C7H5FN2S
SMILES
C1=CC(=C2C(=C1)SC(=N2)N)F
InChI
InChI=1S/C7H5FN2S/c8-4-2-1-3-5-6(4)10-7(9)11-5/h1-3H,(H2,9,10)
InChIKey
CBVRCEFUXXJLSG-UHFFFAOYSA-N
Compound name
4-fluoro-1,3-benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

137
Patents

168.01575 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.02303 126.3
[M+Na]+ 191.00497 138.9
[M-H]- 167.00847 129.4
[M+NH4]+ 186.04957 149.3
[M+K]+ 206.97891 134.8
[M+H-H2O]+ 151.01301 120.2
[M+HCOO]- 213.01395 146.7
[M+CH3COO]- 227.02960 141.4
[M+Na-2H]- 188.99042 131.6
[M]+ 168.01520 127.7
[M]- 168.01630 127.7
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