CID 3021796

1h-pyrrole, 2-methyl-5-(5,6,7,8-tetrahydro-2-naphthalenyl)-1-(3-(trifluoromethyl)phenyl)-

Structural Information

Molecular Formula
C22H20F3N
SMILES
CC1=CC=C(N1C2=CC=CC(=C2)C(F)(F)F)C3=CC4=C(CCCC4)C=C3
InChI
InChI=1S/C22H20F3N/c1-15-9-12-21(18-11-10-16-5-2-3-6-17(16)13-18)26(15)20-8-4-7-19(14-20)22(23,24)25/h4,7-14H,2-3,5-6H2,1H3
InChIKey
IUVZDFSSVXKHOG-UHFFFAOYSA-N
Compound name
2-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1-[3-(trifluoromethyl)phenyl]pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.1548 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.16208 185.4
[M+Na]+ 378.14402 193.5
[M-H]- 354.14752 190.6
[M+NH4]+ 373.18862 199.5
[M+K]+ 394.11796 185.6
[M+H-H2O]+ 338.15206 173.5
[M+HCOO]- 400.15300 199.7
[M+CH3COO]- 414.16865 194.7
[M+Na-2H]- 376.12947 185.3
[M]+ 355.15425 179.5
[M]- 355.15535 179.5
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.