CID 114693269

2-chloro-8-fluoro-n-methylquinazolin-4-amine

Structural Information

Molecular Formula
C9H7ClFN3
SMILES
CNC1=NC(=NC2=C1C=CC=C2F)Cl
InChI
InChI=1S/C9H7ClFN3/c1-12-8-5-3-2-4-6(11)7(5)13-9(10)14-8/h2-4H,1H3,(H,12,13,14)
InChIKey
GNAVCNBCNWXIEQ-UHFFFAOYSA-N
Compound name
2-chloro-8-fluoro-N-methylquinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.03125 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.03853 139.9
[M+Na]+ 234.02047 151.6
[M-H]- 210.02397 140.9
[M+NH4]+ 229.06507 158.2
[M+K]+ 249.99441 146.2
[M+H-H2O]+ 194.02851 132.2
[M+HCOO]- 256.02945 157.0
[M+CH3COO]- 270.04510 153.0
[M+Na-2H]- 232.00592 148.6
[M]+ 211.03070 141.0
[M]- 211.03180 141.0
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

No patent data available for this compound.