CID 70553420

1-(2-(bromomethyl)phenyl)propan-2-one

Structural Information

Molecular Formula
C10H11BrO
SMILES
CC(=O)CC1=CC=CC=C1CBr
InChI
InChI=1S/C10H11BrO/c1-8(12)6-9-4-2-3-5-10(9)7-11/h2-5H,6-7H2,1H3
InChIKey
XZDWBIBJQWDQOV-UHFFFAOYSA-N
Compound name
1-[2-(bromomethyl)phenyl]propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

225.99933 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.006606 141.2
[M+Na]+ 248.988548 152.3
[M-H]- 224.992054 147.5
[M+NH4]+ 244.033153 163.1
[M+K]+ 264.962488 141.5
[M+H-H2O]+ 208.996590 141.6
[M+HCOO]- 270.997531 162.4
[M+CH3COO]- 285.013181 187.7
[M+Na-2H]- 246.973996 148.0
[M]+ 225.99878142 160.5
[M]- 225.99987858 160.5
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