CID 165587935

2731008-76-5

Structural Information

Molecular Formula
C7H7ClF2N2O2S
SMILES
CCOC(=O)C(C1=C(SC(=N1)N)Cl)(F)F
InChI
InChI=1S/C7H7ClF2N2O2S/c1-2-14-5(13)7(9,10)3-4(8)15-6(11)12-3/h2H2,1H3,(H2,11,12)
InChIKey
BSOVSVAQKLAZPI-UHFFFAOYSA-N
Compound name
ethyl 2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2,2-difluoroacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

255.98848 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.99576 148.1
[M+Na]+ 278.97770 158.3
[M-H]- 254.98120 148.3
[M+NH4]+ 274.02230 166.7
[M+K]+ 294.95164 154.3
[M+H-H2O]+ 238.98574 141.6
[M+HCOO]- 300.98668 159.2
[M+CH3COO]- 315.00233 191.1
[M+Na-2H]- 276.96315 148.1
[M]+ 255.98793 150.2
[M]- 255.98903 150.2
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

patents stripe