CID 25059434

7,8-difluoroquinazolin-4-amine

Structural Information

Molecular Formula
C8H5F2N3
SMILES
C1=CC(=C(C2=C1C(=NC=N2)N)F)F
InChI
InChI=1S/C8H5F2N3/c9-5-2-1-4-7(6(5)10)12-3-13-8(4)11/h1-3H,(H2,11,12,13)
InChIKey
RZQVCRJHABLVTP-UHFFFAOYSA-N
Compound name
7,8-difluoroquinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

181.04515 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.05243 132.9
[M+Na]+ 204.03437 144.5
[M-H]- 180.03787 132.7
[M+NH4]+ 199.07897 151.4
[M+K]+ 220.00831 140.2
[M+H-H2O]+ 164.04241 124.0
[M+HCOO]- 226.04335 153.4
[M+CH3COO]- 240.05900 146.1
[M+Na-2H]- 202.01982 141.1
[M]+ 181.04460 129.6
[M]- 181.04570 129.7
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