CID 57416951

1-bromo-3-cyclopropoxybenzene

Structural Information

Molecular Formula
C9H9BrO
SMILES
C1CC1OC2=CC(=CC=C2)Br
InChI
InChI=1S/C9H9BrO/c10-7-2-1-3-9(6-7)11-8-4-5-8/h1-3,6,8H,4-5H2
InChIKey
VPUIIGWUFQSOQM-UHFFFAOYSA-N
Compound name
1-bromo-3-cyclopropyloxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

103
Patents

211.98367 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.99095 136.8
[M+Na]+ 234.97289 150.2
[M-H]- 210.97639 147.1
[M+NH4]+ 230.01749 154.8
[M+K]+ 250.94683 139.6
[M+H-H2O]+ 194.98093 136.5
[M+HCOO]- 256.98187 159.7
[M+CH3COO]- 270.99752 186.7
[M+Na-2H]- 232.95834 145.6
[M]+ 211.98312 157.2
[M]- 211.98422 157.2
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