CID 22125514

4,5-diamino-2-fluorobenzonitrile

Structural Information

Molecular Formula
C7H6FN3
SMILES
C1=C(C(=CC(=C1N)N)F)C#N
InChI
InChI=1S/C7H6FN3/c8-5-2-7(11)6(10)1-4(5)3-9/h1-2H,10-11H2
InChIKey
YSGFEOQZSGENDM-UHFFFAOYSA-N
Compound name
4,5-diamino-2-fluorobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

151.05458 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.06186 130.7
[M+Na]+ 174.04380 141.6
[M-H]- 150.04730 132.7
[M+NH4]+ 169.08840 149.2
[M+K]+ 190.01774 138.7
[M+H-H2O]+ 134.05184 118.1
[M+HCOO]- 196.05278 151.7
[M+CH3COO]- 210.06843 193.4
[M+Na-2H]- 172.02925 135.1
[M]+ 151.05403 121.6
[M]- 151.05513 121.6
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