CID 61100705

1-(4-bromophenyl)-3,3-dimethylbutan-1-ol

Structural Information

Molecular Formula
C12H17BrO
SMILES
CC(C)(C)CC(C1=CC=C(C=C1)Br)O
InChI
InChI=1S/C12H17BrO/c1-12(2,3)8-11(14)9-4-6-10(13)7-5-9/h4-7,11,14H,8H2,1-3H3
InChIKey
VMEIUKZONFDIJY-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-3,3-dimethylbutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.0463 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.05358 153.8
[M+Na]+ 279.03552 163.8
[M-H]- 255.03902 158.7
[M+NH4]+ 274.08012 174.1
[M+K]+ 295.00946 152.6
[M+H-H2O]+ 239.04356 154.4
[M+HCOO]- 301.04450 171.2
[M+CH3COO]- 315.06015 191.4
[M+Na-2H]- 277.02097 159.4
[M]+ 256.04575 172.1
[M]- 256.04685 172.1
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

No patent data available for this compound.