CID 3039304

Brn 0482413

Structural Information

Molecular Formula
C14H14ClNO2
SMILES
CC1=CC(=C(N1C2=CC(=CC=C2)Cl)C)CC(=O)O
InChI
InChI=1S/C14H14ClNO2/c1-9-6-11(7-14(17)18)10(2)16(9)13-5-3-4-12(15)8-13/h3-6,8H,7H2,1-2H3,(H,17,18)
InChIKey
JUHYKIAWBCNFGI-UHFFFAOYSA-N
Compound name
2-[1-(3-chlorophenyl)-2,5-dimethylpyrrol-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.07132 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.07860 158.0
[M+Na]+ 286.06054 172.2
[M+NH4]+ 281.10514 165.9
[M+K]+ 302.03448 167.0
[M-H]- 262.06404 160.6
[M+Na-2H]- 284.04599 164.6
[M]+ 263.07077 161.0
[M]- 263.07187 161.0
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.