CID 86021368

3-chloro-4-fluoro-1,2,5-thiadiazole

Structural Information

Molecular Formula
C2ClFN2S
SMILES
C1(=NSN=C1Cl)F
InChI
InChI=1S/C2ClFN2S/c3-1-2(4)6-7-5-1
InChIKey
AHAQYVHPXUEQKY-UHFFFAOYSA-N
Compound name
3-chloro-4-fluoro-1,2,5-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

137.94548 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.95276 116.2
[M+Na]+ 160.93470 128.6
[M-H]- 136.93820 117.0
[M+NH4]+ 155.97930 138.8
[M+K]+ 176.90864 125.8
[M+H-H2O]+ 120.94274 110.2
[M+HCOO]- 182.94368 130.2
[M+CH3COO]- 196.95933 131.2
[M+Na-2H]- 158.92015 120.1
[M]+ 137.94493 118.4
[M]- 137.94603 118.4
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

No patent data available for this compound.