CID 85604271

5-(heptafluoropropyl)-1h-pyrrole-2-carbaldehyde

Structural Information

Molecular Formula
C8H4F7NO
SMILES
C1=C(NC(=C1)C(C(C(F)(F)F)(F)F)(F)F)C=O
InChI
InChI=1S/C8H4F7NO/c9-6(10,7(11,12)8(13,14)15)5-2-1-4(3-17)16-5/h1-3,16H
InChIKey
HIFQQOFKAPUNDA-UHFFFAOYSA-N
Compound name
5-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-pyrrole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

263.0181 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.02538 146.1
[M+Na]+ 286.00732 156.0
[M-H]- 262.01082 138.8
[M+NH4]+ 281.05192 162.2
[M+K]+ 301.98126 152.0
[M+H-H2O]+ 246.01536 135.7
[M+HCOO]- 308.01630 156.9
[M+CH3COO]- 322.03195 191.3
[M+Na-2H]- 283.99277 149.8
[M]+ 263.01755 135.4
[M]- 263.01865 135.4
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.