CID 66520865

1-bromo-4-cyclopropyl-2-methoxybenzene

Structural Information

Molecular Formula
C10H11BrO
SMILES
COC1=C(C=CC(=C1)C2CC2)Br
InChI
InChI=1S/C10H11BrO/c1-12-10-6-8(7-2-3-7)4-5-9(10)11/h4-7H,2-3H2,1H3
InChIKey
BKHSINCNNLGUMK-UHFFFAOYSA-N
Compound name
1-bromo-4-cyclopropyl-2-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

225.99933 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.00661 140.6
[M+Na]+ 248.98855 154.3
[M-H]- 224.99205 151.0
[M+NH4]+ 244.03315 158.3
[M+K]+ 264.96249 143.4
[M+H-H2O]+ 208.99659 140.2
[M+HCOO]- 270.99753 163.0
[M+CH3COO]- 285.01318 190.4
[M+Na-2H]- 246.97400 148.3
[M]+ 225.99878 161.6
[M]- 225.99988 161.6
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