CID 63386124

2-chloro-5-(difluoromethyl)-1,3,4-thiadiazole

Structural Information

Molecular Formula
C3HClF2N2S
SMILES
C1(=NN=C(S1)Cl)C(F)F
InChI
InChI=1S/C3HClF2N2S/c4-3-8-7-2(9-3)1(5)6/h1H
InChIKey
HRODDSHVEGLFMZ-UHFFFAOYSA-N
Compound name
2-chloro-5-(difluoromethyl)-1,3,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.9517 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.95898 122.0
[M+Na]+ 192.94092 133.7
[M-H]- 168.94442 121.3
[M+NH4]+ 187.98552 143.2
[M+K]+ 208.91486 130.6
[M+H-H2O]+ 152.94896 114.9
[M+HCOO]- 214.94990 133.7
[M+CH3COO]- 228.96555 174.0
[M+Na-2H]- 190.92637 123.9
[M]+ 169.95115 123.0
[M]- 169.95225 123.0
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.