CID 14026653

2-(heptafluoropropyl)-1h-pyrrole

Structural Information

Molecular Formula
C7H4F7N
SMILES
C1=CNC(=C1)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C7H4F7N/c8-5(9,4-2-1-3-15-4)6(10,11)7(12,13)14/h1-3,15H
InChIKey
DQZLODWGSHAXSQ-UHFFFAOYSA-N
Compound name
2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-pyrrole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

235.0232 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.03048 139.6
[M+Na]+ 258.01242 148.9
[M-H]- 234.01592 132.1
[M+NH4]+ 253.05702 156.7
[M+K]+ 273.98636 145.2
[M+H-H2O]+ 218.02046 129.1
[M+HCOO]- 280.02140 150.4
[M+CH3COO]- 294.03705 186.3
[M+Na-2H]- 255.99787 144.3
[M]+ 235.02265 127.6
[M]- 235.02375 127.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe