CID 63317603

944898-59-3

Structural Information

Molecular Formula
C7H8F3N3
SMILES
C1=CN=C(N=C1C(F)(F)F)CCN
InChI
InChI=1S/C7H8F3N3/c8-7(9,10)5-2-4-12-6(13-5)1-3-11/h2,4H,1,3,11H2
InChIKey
AVXQMFRWVFPVPO-UHFFFAOYSA-N
Compound name
2-[4-(trifluoromethyl)pyrimidin-2-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.06703 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.074306 136.8
[M+Na]+ 214.056248 145.9
[M-H]- 190.059754 133.7
[M+NH4]+ 209.100853 153.4
[M+K]+ 230.030188 142.8
[M+H-H2O]+ 174.064290 127.2
[M+HCOO]- 236.065231 155.0
[M+CH3COO]- 250.080881 183.9
[M+Na-2H]- 212.041696 143.6
[M]+ 191.06648142 131.5
[M]- 191.06757858 131.5
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.