CID 616234

(1h-pyrrol-1-yl)pentafluorobenzene

Structural Information

Molecular Formula
C10H4F5N
SMILES
C1=CN(C=C1)C2=C(C(=C(C(=C2F)F)F)F)F
InChI
InChI=1S/C10H4F5N/c11-5-6(12)8(14)10(9(15)7(5)13)16-3-1-2-4-16/h1-4H
InChIKey
JJWDYHICSOUNST-UHFFFAOYSA-N
Compound name
1-(2,3,4,5,6-pentafluorophenyl)pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

233.02638 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.03366 139.1
[M+Na]+ 256.01560 152.4
[M-H]- 232.01910 139.6
[M+NH4]+ 251.06020 158.2
[M+K]+ 271.98954 147.2
[M+H-H2O]+ 216.02364 128.5
[M+HCOO]- 278.02458 158.9
[M+CH3COO]- 292.04023 192.3
[M+Na-2H]- 254.00105 140.4
[M]+ 233.02583 134.4
[M]- 233.02693 134.4
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