CID 15727633

1-bromo-3-(cyclopropylmethoxy)benzene

Structural Information

Molecular Formula
C10H11BrO
SMILES
C1CC1COC2=CC(=CC=C2)Br
InChI
InChI=1S/C10H11BrO/c11-9-2-1-3-10(6-9)12-7-8-4-5-8/h1-3,6,8H,4-5,7H2
InChIKey
QYVPRMAOEXVFHH-UHFFFAOYSA-N
Compound name
1-bromo-3-(cyclopropylmethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

225.99933 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.00661 141.1
[M+Na]+ 248.98855 154.1
[M-H]- 224.99205 151.2
[M+NH4]+ 244.03315 158.6
[M+K]+ 264.96249 143.3
[M+H-H2O]+ 208.99659 140.6
[M+HCOO]- 270.99753 163.7
[M+CH3COO]- 285.01318 189.4
[M+Na-2H]- 246.97400 149.4
[M]+ 225.99878 161.9
[M]- 225.99988 161.9
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