CID 11356350

(1-bromo-2-methoxyethyl)benzene

Structural Information

Molecular Formula
C9H11BrO
SMILES
COCC(C1=CC=CC=C1)Br
InChI
InChI=1S/C9H11BrO/c1-11-7-9(10)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3
InChIKey
FUAVWPFMMGDSHF-UHFFFAOYSA-N
Compound name
(1-bromo-2-methoxyethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

213.99933 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.006606 139.1
[M+Na]+ 236.988548 149.5
[M-H]- 212.992054 145.2
[M+NH4]+ 232.033153 161.3
[M+K]+ 252.962488 139.5
[M+H-H2O]+ 196.996590 139.4
[M+HCOO]- 258.997531 160.4
[M+CH3COO]- 273.013181 184.7
[M+Na-2H]- 234.973996 147.0
[M]+ 213.99878142 158.4
[M]- 213.99987858 158.4
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