CID 84650861

1803587-74-7

Structural Information

Molecular Formula
C6H7F2N3
SMILES
C1=CN=C(N=C1C(F)F)CN
InChI
InChI=1S/C6H7F2N3/c7-6(8)4-1-2-10-5(3-9)11-4/h1-2,6H,3,9H2
InChIKey
YXROJOOOHOQOTN-UHFFFAOYSA-N
Compound name
[4-(difluoromethyl)pyrimidin-2-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

159.0608 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.068076 128.9
[M+Na]+ 182.050018 137.5
[M-H]- 158.053524 127.0
[M+NH4]+ 177.094623 146.6
[M+K]+ 198.023958 135.2
[M+H-H2O]+ 142.058060 119.9
[M+HCOO]- 204.059001 149.1
[M+CH3COO]- 218.074651 179.2
[M+Na-2H]- 180.035466 135.0
[M]+ 159.06025142 124.4
[M]- 159.06134858 124.4
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.