CID 9588617

Brn 5533722

Structural Information

Molecular Formula
C10H9BrN2O2
SMILES
CC1=C(OC2=C1C=C(C=C2)Br)/C(=N\O)/N
InChI
InChI=1S/C10H9BrN2O2/c1-5-7-4-6(11)2-3-8(7)15-9(5)10(12)13-14/h2-4,14H,1H3,(H2,12,13)
InChIKey
IFIXIGVSBYNGFO-UHFFFAOYSA-N
Compound name
5-bromo-N'-hydroxy-3-methyl-1-benzofuran-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.98474 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.99202 151.9
[M+Na]+ 290.97396 164.7
[M-H]- 266.97746 160.1
[M+NH4]+ 286.01856 173.0
[M+K]+ 306.94790 154.1
[M+H-H2O]+ 250.98200 151.1
[M+HCOO]- 312.98294 175.3
[M+CH3COO]- 326.99859 197.2
[M+Na-2H]- 288.95941 158.8
[M]+ 267.98419 172.0
[M]- 267.98529 172.0
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.