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 134.0
[M+Na]+ 215.01580 144.4
[M-H]- 191.01930 132.4
[M+NH4]+ 210.06040 151.9
[M+K]+ 230.98974 140.4
[M+H-H2O]+ 175.02384 126.1
[M+HCOO]- 237.02478 148.2
[M+CH3COO]- 251.04043 181.5
[M+Na-2H]- 213.00125 141.6
[M]+ 192.02603 133.6
[M]- 192.02713 133.6
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.