CID 12575512

6-bromo-1h,2h,3h-pyrrolo[3,2-c]pyridine

Structural Information

Molecular Formula
C7H7BrN2
SMILES
C1CNC2=CC(=NC=C21)Br
InChI
InChI=1S/C7H7BrN2/c8-7-3-6-5(4-10-7)1-2-9-6/h3-4,9H,1-2H2
InChIKey
QUGWYCFURLIXJB-UHFFFAOYSA-N
Compound name
6-bromo-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

197.97926 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.986536 134.3
[M+Na]+ 220.968478 146.8
[M-H]- 196.971984 137.9
[M+NH4]+ 216.013083 156.9
[M+K]+ 236.942418 135.5
[M+H-H2O]+ 180.976520 134.5
[M+HCOO]- 242.977461 152.7
[M+CH3COO]- 256.993111 149.4
[M+Na-2H]- 218.953926 142.9
[M]+ 197.97871142 150.1
[M]- 197.97980858 150.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe