CID 23087712

1-(3-bromophenyl)-2-methylpropan-2-ol

Structural Information

Molecular Formula
C10H13BrO
SMILES
CC(C)(CC1=CC(=CC=C1)Br)O
InChI
InChI=1S/C10H13BrO/c1-10(2,12)7-8-4-3-5-9(11)6-8/h3-6,12H,7H2,1-2H3
InChIKey
OLYJGZCFJLMCKV-UHFFFAOYSA-N
Compound name
1-(3-bromophenyl)-2-methylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

110
Patents

228.01498 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.02226 144.2
[M+Na]+ 251.00420 155.3
[M-H]- 227.00770 149.4
[M+NH4]+ 246.04880 165.6
[M+K]+ 266.97814 144.0
[M+H-H2O]+ 211.01224 145.1
[M+HCOO]- 273.01318 163.2
[M+CH3COO]- 287.02883 185.6
[M+Na-2H]- 248.98965 152.1
[M]+ 228.01443 162.5
[M]- 228.01553 162.5
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