CID 105466492

4-(trifluoromethyl)quinazolin-2-amine

Structural Information

Molecular Formula
C9H6F3N3
SMILES
C1=CC=C2C(=C1)C(=NC(=N2)N)C(F)(F)F
InChI
InChI=1S/C9H6F3N3/c10-9(11,12)7-5-3-1-2-4-6(5)14-8(13)15-7/h1-4H,(H2,13,14,15)
InChIKey
DOZREXQIKURZCY-UHFFFAOYSA-N
Compound name
4-(trifluoromethyl)quinazolin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.05138 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.05866 141.7
[M+Na]+ 236.04060 152.4
[M-H]- 212.04410 139.8
[M+NH4]+ 231.08520 158.6
[M+K]+ 252.01454 147.8
[M+H-H2O]+ 196.04864 132.0
[M+HCOO]- 258.04958 159.1
[M+CH3COO]- 272.06523 188.5
[M+Na-2H]- 234.02605 149.9
[M]+ 213.05083 136.5
[M]- 213.05193 136.5
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.