CID 138991399

6-(difluoromethyl)-2-methylpyrimidine-4-carbaldehyde

Structural Information

Molecular Formula
C7H6F2N2O
SMILES
CC1=NC(=CC(=N1)C(F)F)C=O
InChI
InChI=1S/C7H6F2N2O/c1-4-10-5(3-12)2-6(11-4)7(8)9/h2-3,7H,1H3
InChIKey
XJKZDVKMETYSMT-UHFFFAOYSA-N
Compound name
6-(difluoromethyl)-2-methylpyrimidine-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.04482 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.05210 130.1
[M+Na]+ 195.03404 140.4
[M-H]- 171.03754 129.0
[M+NH4]+ 190.07864 148.1
[M+K]+ 211.00798 138.2
[M+H-H2O]+ 155.04208 121.5
[M+HCOO]- 217.04302 150.0
[M+CH3COO]- 231.05867 180.4
[M+Na-2H]- 193.01949 135.7
[M]+ 172.04427 128.9
[M]- 172.04537 128.9
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.