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]+ 192.07431 136.8
[M+Na]+ 214.05625 145.9
[M-H]- 190.05975 133.7
[M+NH4]+ 209.10085 153.4
[M+K]+ 230.03019 142.8
[M+H-H2O]+ 174.06429 127.2
[M+HCOO]- 236.06523 155.0
[M+CH3COO]- 250.08088 183.9
[M+Na-2H]- 212.04170 143.6
[M]+ 191.06648 131.5
[M]- 191.06758 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.