CID 44512900

4-(3-amino-1,2,4-triazin-6-yl)-2-fluorobenzonitrile

Structural Information

Molecular Formula
C10H6FN5
SMILES
C1=CC(=C(C=C1C2=CN=C(N=N2)N)F)C#N
InChI
InChI=1S/C10H6FN5/c11-8-3-6(1-2-7(8)4-12)9-5-14-10(13)16-15-9/h1-3,5H,(H2,13,14,16)
InChIKey
JXQHTMHBDHVPDQ-UHFFFAOYSA-N
Compound name
4-(3-amino-1,2,4-triazin-6-yl)-2-fluorobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

215.06073 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.06801 144.0
[M+Na]+ 238.04995 155.1
[M-H]- 214.05345 143.7
[M+NH4]+ 233.09455 155.9
[M+K]+ 254.02389 150.1
[M+H-H2O]+ 198.05799 127.1
[M+HCOO]- 260.05893 160.9
[M+CH3COO]- 274.07458 154.1
[M+Na-2H]- 236.03540 150.0
[M]+ 215.06018 136.0
[M]- 215.06128 136.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe