CID 206051

Brn 0432683

Structural Information

Molecular Formula
C20H18FNO2
SMILES
CC1=CC=C(C=C1)C2=CC(=C(N2C3=CC=C(C=C3)F)C)CC(=O)O
InChI
InChI=1S/C20H18FNO2/c1-13-3-5-15(6-4-13)19-11-16(12-20(23)24)14(2)22(19)18-9-7-17(21)8-10-18/h3-11H,12H2,1-2H3,(H,23,24)
InChIKey
ZLHMHTYTTMQRES-UHFFFAOYSA-N
Compound name
2-[1-(4-fluorophenyl)-2-methyl-5-(4-methylphenyl)pyrrol-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.13217 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.13945 175.3
[M+Na]+ 346.12139 184.5
[M-H]- 322.12489 182.2
[M+NH4]+ 341.16599 189.5
[M+K]+ 362.09533 178.4
[M+H-H2O]+ 306.12943 166.0
[M+HCOO]- 368.13037 195.4
[M+CH3COO]- 382.14602 208.5
[M+Na-2H]- 344.10684 174.1
[M]+ 323.13162 175.8
[M]- 323.13272 175.8
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.