CID 2775256

5-pyrimidinecarboxylic acid, 2-hydrazinyl-4-(trifluoromethyl)-, methyl ester

Structural Information

Molecular Formula
C7H7F3N4O2
SMILES
COC(=O)C1=CN=C(N=C1C(F)(F)F)NN
InChI
InChI=1S/C7H7F3N4O2/c1-16-5(15)3-2-12-6(14-11)13-4(3)7(8,9)10/h2H,11H2,1H3,(H,12,13,14)
InChIKey
LIMNVGGTQCLNNP-UHFFFAOYSA-N
Compound name
methyl 2-hydrazinyl-4-(trifluoromethyl)pyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

236.05211 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.05939 145.6
[M+Na]+ 259.04133 154.6
[M-H]- 235.04483 143.0
[M+NH4]+ 254.08593 160.1
[M+K]+ 275.01527 152.4
[M+H-H2O]+ 219.04937 135.7
[M+HCOO]- 281.05031 164.5
[M+CH3COO]- 295.06596 193.6
[M+Na-2H]- 257.02678 151.0
[M]+ 236.05156 141.4
[M]- 236.05266 141.4
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

patents stripe