CID 19937238

1-(bromomethyl)-2-(methoxymethyl)benzene

Structural Information

Molecular Formula
C9H11BrO
SMILES
COCC1=CC=CC=C1CBr
InChI
InChI=1S/C9H11BrO/c1-11-7-9-5-3-2-4-8(9)6-10/h2-5H,6-7H2,1H3
InChIKey
JQIZZNGLTGKXOD-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-2-(methoxymethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

213.99933 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.00661 137.4
[M+Na]+ 236.98855 141.7
[M+NH4]+ 232.03315 143.2
[M+K]+ 252.96249 140.6
[M-H]- 212.99205 138.7
[M+Na-2H]- 234.97400 142.1
[M]+ 213.99878 137.3
[M]- 213.99988 137.3
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