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

10
Patents

159.0608 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.06808 128.9
[M+Na]+ 182.05002 137.5
[M-H]- 158.05352 127.0
[M+NH4]+ 177.09462 146.6
[M+K]+ 198.02396 135.2
[M+H-H2O]+ 142.05806 119.9
[M+HCOO]- 204.05900 149.1
[M+CH3COO]- 218.07465 179.2
[M+Na-2H]- 180.03547 135.0
[M]+ 159.06025 124.4
[M]- 159.06135 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.