CID 155937640

2-(6-chloropyrazin-2-yl)-2,2-difluoroacetic acid

Structural Information

Molecular Formula
C6H3ClF2N2O2
SMILES
C1=C(N=C(C=N1)Cl)C(C(=O)O)(F)F
InChI
InChI=1S/C6H3ClF2N2O2/c7-4-2-10-1-3(11-4)6(8,9)5(12)13/h1-2H,(H,12,13)
InChIKey
PGYGTMRZYGPEQR-UHFFFAOYSA-N
Compound name
2-(6-chloropyrazin-2-yl)-2,2-difluoroacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

207.9851 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.99238 133.8
[M+Na]+ 230.97432 144.1
[M-H]- 206.97782 131.3
[M+NH4]+ 226.01892 150.1
[M+K]+ 246.94826 140.3
[M+H-H2O]+ 190.98236 126.4
[M+HCOO]- 252.98330 146.5
[M+CH3COO]- 266.99895 179.8
[M+Na-2H]- 228.95977 140.5
[M]+ 207.98455 132.7
[M]- 207.98565 132.7
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