CID 45792148

2,2,2-trifluoroethyl n-(5-methyl-1,3,4-thiadiazol-2-yl)carbamate

Structural Information

Molecular Formula
C6H6F3N3O2S
SMILES
CC1=NN=C(S1)NC(=O)OCC(F)(F)F
InChI
InChI=1S/C6H6F3N3O2S/c1-3-11-12-4(15-3)10-5(13)14-2-6(7,8)9/h2H2,1H3,(H,10,12,13)
InChIKey
HQOUDDOJCNEHPP-UHFFFAOYSA-N
Compound name
2,2,2-trifluoroethyl N-(5-methyl-1,3,4-thiadiazol-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.01328 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.02056 144.2
[M+Na]+ 264.00250 153.6
[M-H]- 240.00600 142.0
[M+NH4]+ 259.04710 161.3
[M+K]+ 279.97644 151.5
[M+H-H2O]+ 224.01054 135.0
[M+HCOO]- 286.01148 158.6
[M+CH3COO]- 300.02713 188.0
[M+Na-2H]- 261.98795 146.1
[M]+ 241.01273 144.0
[M]- 241.01383 144.0
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.