CID 19622851

1-(2,2-difluoroethyl)-3-methyl-1h-pyrazole-4-carbaldehyde

Structural Information

Molecular Formula
C7H8F2N2O
SMILES
CC1=NN(C=C1C=O)CC(F)F
InChI
InChI=1S/C7H8F2N2O/c1-5-6(4-12)2-11(10-5)3-7(8)9/h2,4,7H,3H2,1H3
InChIKey
RRPHHACJFVLJAU-UHFFFAOYSA-N
Compound name
1-(2,2-difluoroethyl)-3-methylpyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

174.06047 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.06775 131.3
[M+Na]+ 197.04969 141.5
[M-H]- 173.05319 130.2
[M+NH4]+ 192.09429 151.1
[M+K]+ 213.02363 139.7
[M+H-H2O]+ 157.05773 123.0
[M+HCOO]- 219.05867 152.0
[M+CH3COO]- 233.07432 180.5
[M+Na-2H]- 195.03514 134.5
[M]+ 174.05992 130.9
[M]- 174.06102 130.9
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

patents stripe