CID 57842852

2-(4-bromo-2-methylphenyl)ethanol

Structural Information

Molecular Formula
C9H11BrO
SMILES
CC1=C(C=CC(=C1)Br)CCO
InChI
InChI=1S/C9H11BrO/c1-7-6-9(10)3-2-8(7)4-5-11/h2-3,6,11H,4-5H2,1H3
InChIKey
SPUJMAZDWJOCFS-UHFFFAOYSA-N
Compound name
2-(4-bromo-2-methylphenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

213.99933 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.00661 137.9
[M+Na]+ 236.98855 142.0
[M+NH4]+ 232.03315 143.3
[M+K]+ 252.96249 141.2
[M-H]- 212.99205 138.7
[M+Na-2H]- 234.97400 141.8
[M]+ 213.99878 137.6
[M]- 213.99988 137.6
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