CID 3053047

69466-92-8

Structural Information

Molecular Formula
C10H7F2N3O
SMILES
COC1=NC(=CN=N1)C2=C(C=C(C=C2)F)F
InChI
InChI=1S/C10H7F2N3O/c1-16-10-14-9(5-13-15-10)7-3-2-6(11)4-8(7)12/h2-5H,1H3
InChIKey
MPGHONIKSBJCLT-UHFFFAOYSA-N
Compound name
5-(2,4-difluorophenyl)-3-methoxy-1,2,4-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

223.05573 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.06301 144.7
[M+Na]+ 246.04495 156.1
[M-H]- 222.04845 145.6
[M+NH4]+ 241.08955 159.2
[M+K]+ 262.01889 151.8
[M+H-H2O]+ 206.05299 133.8
[M+HCOO]- 268.05393 164.4
[M+CH3COO]- 282.06958 189.1
[M+Na-2H]- 244.03040 151.6
[M]+ 223.05518 144.3
[M]- 223.05628 144.3
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

patents stripe