CID 12604497

4-bromofuro[3,2-c]pyridine

Structural Information

Molecular Formula
C7H4BrNO
SMILES
C1=CN=C(C2=C1OC=C2)Br
InChI
InChI=1S/C7H4BrNO/c8-7-5-2-4-10-6(5)1-3-9-7/h1-4H
InChIKey
LQSUGTMKGMENBG-UHFFFAOYSA-N
Compound name
4-bromofuro[3,2-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

196.94763 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.95491 129.6
[M+Na]+ 219.93685 144.4
[M-H]- 195.94035 137.1
[M+NH4]+ 214.98145 153.2
[M+K]+ 235.91079 135.3
[M+H-H2O]+ 179.94489 130.5
[M+HCOO]- 241.94583 152.6
[M+CH3COO]- 255.96148 147.1
[M+Na-2H]- 217.92230 141.3
[M]+ 196.94708 151.3
[M]- 196.94818 151.3
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

patents stripe