CID 137928444

2253630-03-2

Structural Information

Molecular Formula
C7H6F2N2O3
SMILES
COC1=NC=C(C(=N1)C(F)F)C(=O)O
InChI
InChI=1S/C7H6F2N2O3/c1-14-7-10-2-3(6(12)13)4(11-7)5(8)9/h2,5H,1H3,(H,12,13)
InChIKey
RURQSTWOVCKCQN-UHFFFAOYSA-N
Compound name
4-(difluoromethyl)-2-methoxypyrimidine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.03465 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.04193 136.7
[M+Na]+ 227.02387 146.1
[M-H]- 203.02737 134.3
[M+NH4]+ 222.06847 152.4
[M+K]+ 242.99781 144.5
[M+H-H2O]+ 187.03191 128.0
[M+HCOO]- 249.03285 154.5
[M+CH3COO]- 263.04850 182.8
[M+Na-2H]- 225.00932 140.6
[M]+ 204.03410 135.8
[M]- 204.03520 135.8
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.