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

31
Patents

213.99933 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.00661 139.1
[M+Na]+ 236.98855 149.5
[M-H]- 212.99205 145.2
[M+NH4]+ 232.03315 161.3
[M+K]+ 252.96249 139.5
[M+H-H2O]+ 196.99659 139.4
[M+HCOO]- 258.99753 160.4
[M+CH3COO]- 273.01318 184.7
[M+Na-2H]- 234.97400 147.0
[M]+ 213.99878 158.4
[M]- 213.99988 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