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

12
Patents

225.99933 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.006606 140.6
[M+Na]+ 248.988548 154.3
[M-H]- 224.992054 151.0
[M+NH4]+ 244.033153 158.3
[M+K]+ 264.962488 143.4
[M+H-H2O]+ 208.996590 140.2
[M+HCOO]- 270.997531 163.0
[M+CH3COO]- 285.013181 190.4
[M+Na-2H]- 246.973996 148.3
[M]+ 225.99878142 161.6
[M]- 225.99987858 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