CID 79035608

1486400-55-8

Structural Information

Molecular Formula
C11H8BrNO2
SMILES
C1=CC(=CC(=C1)Br)C2=C(NC=C2)C(=O)O
InChI
InChI=1S/C11H8BrNO2/c12-8-3-1-2-7(6-8)9-4-5-13-10(9)11(14)15/h1-6,13H,(H,14,15)
InChIKey
XQXMJXKBWCBUNY-UHFFFAOYSA-N
Compound name
3-(3-bromophenyl)-1H-pyrrole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.97385 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.98113 150.8
[M+Na]+ 287.96307 162.3
[M-H]- 263.96657 156.8
[M+NH4]+ 283.00767 170.1
[M+K]+ 303.93701 150.1
[M+H-H2O]+ 247.97111 150.5
[M+HCOO]- 309.97205 169.9
[M+CH3COO]- 323.98770 187.0
[M+Na-2H]- 285.94852 155.3
[M]+ 264.97330 167.4
[M]- 264.97440 167.4
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.