CID 3060069

77636-93-2

Structural Information

Molecular Formula
C10H9FN4O
SMILES
COC1=C(C=C(C=C1)F)N=NC2=NC=CN2
InChI
InChI=1S/C10H9FN4O/c1-16-9-3-2-7(11)6-8(9)14-15-10-12-4-5-13-10/h2-6H,1H3,(H,12,13)
InChIKey
YQXWOCZUCRHNTP-UHFFFAOYSA-N
Compound name
(5-fluoro-2-methoxyphenyl)-(1H-imidazol-2-yl)diazene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

220.07603 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.08331 143.0
[M+Na]+ 243.06525 152.2
[M-H]- 219.06875 147.9
[M+NH4]+ 238.10985 160.7
[M+K]+ 259.03919 149.3
[M+H-H2O]+ 203.07329 133.2
[M+HCOO]- 265.07423 169.9
[M+CH3COO]- 279.08988 193.1
[M+Na-2H]- 241.05070 150.2
[M]+ 220.07548 143.3
[M]- 220.07658 143.3
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