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]+ 146.04120 122.9
[M+Na]+ 168.02314 132.5
[M-H]- 144.02664 123.0
[M+NH4]+ 163.06774 144.8
[M+K]+ 183.99708 131.1
[M+H-H2O]+ 128.03118 115.5
[M+HCOO]- 190.03212 145.2
[M+CH3COO]- 204.04777 173.6
[M+Na-2H]- 166.00859 127.4
[M]+ 145.03337 121.1
[M]- 145.03447 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.