CID 73833

1462-37-9

Structural Information

Molecular Formula
C9H11BrO
SMILES
C1=CC=C(C=C1)COCCBr
InChI
InChI=1S/C9H11BrO/c10-6-7-11-8-9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKey
FWOHDAGPWDEWIB-UHFFFAOYSA-N
Compound name
2-bromoethoxymethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3509
Patents

213.99933 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.00661 138.3
[M+Na]+ 236.98855 148.9
[M-H]- 212.99205 144.3
[M+NH4]+ 232.03315 160.5
[M+K]+ 252.96249 138.6
[M+H-H2O]+ 196.99659 138.6
[M+HCOO]- 258.99753 160.6
[M+CH3COO]- 273.01318 184.0
[M+Na-2H]- 234.97400 147.4
[M]+ 213.99878 158.2
[M]- 213.99988 158.2
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