CID 63383889

2-chloro-5-(2-fluoro-4-nitrophenyl)-1,3,4-thiadiazole

Structural Information

Molecular Formula
C8H3ClFN3O2S
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])F)C2=NN=C(S2)Cl
InChI
InChI=1S/C8H3ClFN3O2S/c9-8-12-11-7(16-8)5-2-1-4(13(14)15)3-6(5)10/h1-3H
InChIKey
CKUGVYFTCFRJQF-UHFFFAOYSA-N
Compound name
2-chloro-5-(2-fluoro-4-nitrophenyl)-1,3,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.96185 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.96913 147.2
[M+Na]+ 281.95107 157.9
[M-H]- 257.95457 151.3
[M+NH4]+ 276.99567 163.9
[M+K]+ 297.92501 149.0
[M+H-H2O]+ 241.95911 144.3
[M+HCOO]- 303.96005 161.9
[M+CH3COO]- 317.97570 184.4
[M+Na-2H]- 279.93652 151.1
[M]+ 258.96130 148.4
[M]- 258.96240 148.4
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

No patent data available for this compound.