CID 61710634

5-(2-fluoro-4-nitrophenyl)-1,3,4-thiadiazol-2-amine

Structural Information

Molecular Formula
C8H5FN4O2S
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])F)C2=NN=C(S2)N
InChI
InChI=1S/C8H5FN4O2S/c9-6-3-4(13(14)15)1-2-5(6)7-11-12-8(10)16-7/h1-3H,(H2,10,12)
InChIKey
BSGZFCCIFBAKRN-UHFFFAOYSA-N
Compound name
5-(2-fluoro-4-nitrophenyl)-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

240.01172 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.01900 143.0
[M+Na]+ 263.00094 152.5
[M-H]- 239.00444 146.8
[M+NH4]+ 258.04554 159.0
[M+K]+ 278.97488 144.2
[M+H-H2O]+ 223.00898 139.1
[M+HCOO]- 285.00992 162.8
[M+CH3COO]- 299.02557 184.5
[M+Na-2H]- 260.98639 147.5
[M]+ 240.01117 140.6
[M]- 240.01227 140.6
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