CID 25194665

2,3-diamino-5-fluorobenzamide

Structural Information

Molecular Formula
C7H8FN3O
SMILES
C1=C(C=C(C(=C1C(=O)N)N)N)F
InChI
InChI=1S/C7H8FN3O/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,9-10H2,(H2,11,12)
InChIKey
PRPYSRWCZHAEPH-UHFFFAOYSA-N
Compound name
2,3-diamino-5-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

169.06514 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.07242 132.6
[M+Na]+ 192.05436 141.2
[M-H]- 168.05786 134.6
[M+NH4]+ 187.09896 151.8
[M+K]+ 208.02830 138.6
[M+H-H2O]+ 152.06240 125.8
[M+HCOO]- 214.06334 157.2
[M+CH3COO]- 228.07899 186.7
[M+Na-2H]- 190.03981 135.4
[M]+ 169.06459 126.6
[M]- 169.06569 126.6
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