CID 53401470

1780899-17-3

Structural Information

Molecular Formula
C6H6F3N3
SMILES
C1=C(C=NC(=N1)CN)C(F)(F)F
InChI
InChI=1S/C6H6F3N3/c7-6(8,9)4-2-11-5(1-10)12-3-4/h2-3H,1,10H2
InChIKey
OIGKBZPONVENGZ-UHFFFAOYSA-N
Compound name
[5-(trifluoromethyl)pyrimidin-2-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

177.05138 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.05866 132.2
[M+Na]+ 200.04060 141.7
[M-H]- 176.04410 129.2
[M+NH4]+ 195.08520 149.4
[M+K]+ 216.01454 138.8
[M+H-H2O]+ 160.04864 122.8
[M+HCOO]- 222.04958 150.7
[M+CH3COO]- 236.06523 180.8
[M+Na-2H]- 198.02605 139.5
[M]+ 177.05083 126.6
[M]- 177.05193 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