CID 53350366

4-bromo-2,3-dihydrobenzofuran

Structural Information

Molecular Formula
C8H7BrO
SMILES
C1COC2=C1C(=CC=C2)Br
InChI
InChI=1S/C8H7BrO/c9-7-2-1-3-8-6(7)4-5-10-8/h1-3H,4-5H2
InChIKey
FLJVEXCGBADRNM-UHFFFAOYSA-N
Compound name
4-bromo-2,3-dihydro-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

40
Patents

197.96803 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.975306 135.4
[M+Na]+ 220.957248 147.8
[M-H]- 196.960754 143.4
[M+NH4]+ 216.001853 159.9
[M+K]+ 236.931188 138.7
[M+H-H2O]+ 180.965290 136.8
[M+HCOO]- 242.966231 156.5
[M+CH3COO]- 256.981881 151.9
[M+Na-2H]- 218.942696 144.6
[M]+ 197.96748142 154.1
[M]- 197.96857858 154.1
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