CID 45792391

2,2,2-trifluoroethyl n-(1,3-benzothiazol-2-yl)carbamate

Structural Information

Molecular Formula
C10H7F3N2O2S
SMILES
C1=CC=C2C(=C1)N=C(S2)NC(=O)OCC(F)(F)F
InChI
InChI=1S/C10H7F3N2O2S/c11-10(12,13)5-17-9(16)15-8-14-6-3-1-2-4-7(6)18-8/h1-4H,5H2,(H,14,15,16)
InChIKey
PQTVLABBSSEIMV-UHFFFAOYSA-N
Compound name
2,2,2-trifluoroethyl N-(1,3-benzothiazol-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.01804 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.02532 152.9
[M+Na]+ 299.00726 163.2
[M-H]- 275.01076 153.1
[M+NH4]+ 294.05186 171.1
[M+K]+ 314.98120 159.4
[M+H-H2O]+ 259.01530 144.3
[M+HCOO]- 321.01624 168.8
[M+CH3COO]- 335.03189 194.4
[M+Na-2H]- 296.99271 157.2
[M]+ 276.01749 154.4
[M]- 276.01859 154.4
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.