CID 24277797

5-(4-bromophenyl)-1-methyl-1h-pyrrole-2-carboxylic acid

Structural Information

Molecular Formula
C12H10BrNO2
SMILES
CN1C(=CC=C1C(=O)O)C2=CC=C(C=C2)Br
InChI
InChI=1S/C12H10BrNO2/c1-14-10(6-7-11(14)12(15)16)8-2-4-9(13)5-3-8/h2-7H,1H3,(H,15,16)
InChIKey
JGCCVGLWMIQGDJ-UHFFFAOYSA-N
Compound name
5-(4-bromophenyl)-1-methylpyrrole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.9895 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.99678 154.0
[M+Na]+ 301.97872 166.4
[M-H]- 277.98222 161.5
[M+NH4]+ 297.02332 173.8
[M+K]+ 317.95266 154.9
[M+H-H2O]+ 261.98676 153.5
[M+HCOO]- 323.98770 174.2
[M+CH3COO]- 338.00335 193.2
[M+Na-2H]- 299.96417 157.8
[M]+ 278.98895 173.1
[M]- 278.99005 173.1
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.