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]+ 221.083306 143.0
[M+Na]+ 243.065248 152.2
[M-H]- 219.068754 147.9
[M+NH4]+ 238.109853 160.7
[M+K]+ 259.039188 149.3
[M+H-H2O]+ 203.073290 133.2
[M+HCOO]- 265.074231 169.9
[M+CH3COO]- 279.089881 193.1
[M+Na-2H]- 241.050696 150.2
[M]+ 220.07548142 143.3
[M]- 220.07657858 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