CID 137965944

2230799-14-9

Structural Information

Molecular Formula
C11H14F2N2O2S
SMILES
CCOC(=O)C1CCC(C2=C(C1)SC(=N2)N)(F)F
InChI
InChI=1S/C11H14F2N2O2S/c1-2-17-9(16)6-3-4-11(12,13)8-7(5-6)18-10(14)15-8/h6H,2-5H2,1H3,(H2,14,15)
InChIKey
VZZKPEXBNXLDIW-UHFFFAOYSA-N
Compound name
ethyl 2-amino-4,4-difluoro-5,6,7,8-tetrahydrocyclohepta[d][1,3]thiazole-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.0744 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.08168 152.2
[M+Na]+ 299.06362 158.7
[M-H]- 275.06712 153.7
[M+NH4]+ 294.10822 170.7
[M+K]+ 315.03756 159.5
[M+H-H2O]+ 259.07166 145.0
[M+HCOO]- 321.07260 164.8
[M+CH3COO]- 335.08825 198.7
[M+Na-2H]- 297.04907 152.0
[M]+ 276.07385 148.3
[M]- 276.07495 148.3
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.