CID 206064

Brn 0425117

Structural Information

Molecular Formula
C14H13Cl2NO2
SMILES
CC1=CC(=C(N1C2=C(C=C(C=C2)Cl)Cl)C)CC(=O)O
InChI
InChI=1S/C14H13Cl2NO2/c1-8-5-10(6-14(18)19)9(2)17(8)13-4-3-11(15)7-12(13)16/h3-5,7H,6H2,1-2H3,(H,18,19)
InChIKey
IFKJZCONWYLZNZ-UHFFFAOYSA-N
Compound name
2-[1-(2,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.03235 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.03963 163.2
[M+Na]+ 320.02157 174.8
[M-H]- 296.02507 167.7
[M+NH4]+ 315.06617 180.4
[M+K]+ 335.99551 168.1
[M+H-H2O]+ 280.02961 157.8
[M+HCOO]- 342.03055 175.4
[M+CH3COO]- 356.04620 200.1
[M+Na-2H]- 318.00702 162.4
[M]+ 297.03180 168.3
[M]- 297.03290 168.3
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.