CID 2838987

2,7-diamino-4-(2-fluorophenyl)-4h-chromene-3-carbonitrile

Structural Information

Molecular Formula
C16H12FN3O
SMILES
C1=CC=C(C(=C1)C2C3=C(C=C(C=C3)N)OC(=C2C#N)N)F
InChI
InChI=1S/C16H12FN3O/c17-13-4-2-1-3-10(13)15-11-6-5-9(19)7-14(11)21-16(20)12(15)8-18/h1-7,15H,19-20H2
InChIKey
FENCJBWLEILJBY-UHFFFAOYSA-N
Compound name
2,7-diamino-4-(2-fluorophenyl)-4H-chromene-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

281.09644 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.10372 169.6
[M+Na]+ 304.08566 181.1
[M-H]- 280.08916 174.4
[M+NH4]+ 299.13026 182.7
[M+K]+ 320.05960 174.4
[M+H-H2O]+ 264.09370 154.7
[M+HCOO]- 326.09464 186.8
[M+CH3COO]- 340.11029 179.4
[M+Na-2H]- 302.07111 172.7
[M]+ 281.09589 161.2
[M]- 281.09699 161.2
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

No patent data available for this compound.