CID 316785

1-(4-bromophenyl)-2-methylpropan-2-ol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

135
Patents

228.01498 Da
Monoisotopic Mass

2.9
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

literature stripe

Patent stripe

patents stripe