CID 66407906

1-(difluoromethyl)-1h-pyrrole-2-carbaldehyde

Structural Information

Molecular Formula
C6H5F2NO
SMILES
C1=CN(C(=C1)C=O)C(F)F
InChI
InChI=1S/C6H5F2NO/c7-6(8)9-3-1-2-5(9)4-10/h1-4,6H
InChIKey
HEFWOSFNVTXCEX-UHFFFAOYSA-N
Compound name
1-(difluoromethyl)pyrrole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

145.03392 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.041196 122.9
[M+Na]+ 168.023138 132.5
[M-H]- 144.026644 123.0
[M+NH4]+ 163.067743 144.8
[M+K]+ 183.997078 131.1
[M+H-H2O]+ 128.031180 115.5
[M+HCOO]- 190.032121 145.2
[M+CH3COO]- 204.047771 173.6
[M+Na-2H]- 166.008586 127.4
[M]+ 145.03337142 121.1
[M]- 145.03446858 121.1
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.