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

27
Patents

213.99933 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.006606 137.6
[M+Na]+ 236.988548 149.1
[M-H]- 212.992054 144.0
[M+NH4]+ 232.033153 160.1
[M+K]+ 252.962488 138.8
[M+H-H2O]+ 196.996590 138.0
[M+HCOO]- 258.997531 159.9
[M+CH3COO]- 273.013181 185.0
[M+Na-2H]- 234.973996 146.1
[M]+ 213.99878142 157.8
[M]- 213.99987858 157.8
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