CID 155978274

2-(chloromethyl)-4-(1,1-difluoroethyl)pyrimidine

Structural Information

Molecular Formula
C7H7ClF2N2
SMILES
CC(C1=NC(=NC=C1)CCl)(F)F
InChI
InChI=1S/C7H7ClF2N2/c1-7(9,10)5-2-3-11-6(4-8)12-5/h2-3H,4H2,1H3
InChIKey
SKCZHCNRXAPIBJ-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-4-(1,1-difluoroethyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.02658 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.03386 136.2
[M+Na]+ 215.01580 148.4
[M+NH4]+ 210.06040 143.1
[M+K]+ 230.98974 142.3
[M-H]- 191.01930 134.1
[M+Na-2H]- 213.00125 142.5
[M]+ 192.02603 137.5
[M]- 192.02713 137.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

Patent stripe

No patent data available for this compound.