CID 130635213

2-(chloromethyl)-5-(1,1-difluoroethyl)-1,3,4-thiadiazole

Structural Information

Molecular Formula
C5H5ClF2N2S
SMILES
CC(C1=NN=C(S1)CCl)(F)F
InChI
InChI=1S/C5H5ClF2N2S/c1-5(7,8)4-10-9-3(2-6)11-4/h2H2,1H3
InChIKey
AQKVSLFWZNZKDX-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-5-(1,1-difluoroethyl)-1,3,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.983 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.99028 133.1
[M+Na]+ 220.97222 144.6
[M-H]- 196.97572 132.4
[M+NH4]+ 216.01682 153.4
[M+K]+ 236.94616 140.9
[M+H-H2O]+ 180.98026 126.1
[M+HCOO]- 242.98120 143.6
[M+CH3COO]- 256.99685 179.5
[M+Na-2H]- 218.95767 135.6
[M]+ 197.98245 134.8
[M]- 197.98355 134.8
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.