CID 11741617

1h-pyrrole, 1-methyl-2-(tridecafluorohexyl)-

Structural Information

Molecular Formula
C11H6F13N
SMILES
CN1C=CC=C1C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H6F13N/c1-25-4-2-3-5(25)6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h2-4H,1H3
InChIKey
CZWWAAJCRNYGSO-UHFFFAOYSA-N
Compound name
1-methyl-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrrole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

399.02927 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.03655 175.9
[M+Na]+ 422.01849 186.0
[M-H]- 398.02199 164.2
[M+NH4]+ 417.06309 186.7
[M+K]+ 437.99243 181.7
[M+H-H2O]+ 382.02653 161.6
[M+HCOO]- 444.02747 176.0
[M+CH3COO]- 458.04312 221.1
[M+Na-2H]- 420.00394 178.3
[M]+ 399.02872 156.9
[M]- 399.02982 156.9
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.