CID 59104527

1-bromo-1-(4-methylphenyl)propan-2-one

Structural Information

Molecular Formula
C10H11BrO
SMILES
CC1=CC=C(C=C1)C(C(=O)C)Br
InChI
InChI=1S/C10H11BrO/c1-7-3-5-9(6-4-7)10(11)8(2)12/h3-6,10H,1-2H3
InChIKey
WWFCFZPNZDOQNS-UHFFFAOYSA-N
Compound name
1-bromo-1-(4-methylphenyl)propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

225.99933 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.006606 141.5
[M+Na]+ 248.988548 152.4
[M-H]- 224.992054 147.9
[M+NH4]+ 244.033153 163.4
[M+K]+ 264.962488 142.0
[M+H-H2O]+ 208.996590 141.9
[M+HCOO]- 270.997531 161.7
[M+CH3COO]- 285.013181 188.5
[M+Na-2H]- 246.973996 147.1
[M]+ 225.99878142 160.2
[M]- 225.99987858 160.2
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