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 149.8
[M-H]- 212.99205 143.3
[M+NH4]+ 232.03315 160.0
[M+K]+ 252.96249 138.5
[M+H-H2O]+ 196.99659 138.7
[M+HCOO]- 258.99753 158.7
[M+CH3COO]- 273.01318 183.5
[M+Na-2H]- 234.97400 145.2
[M]+ 213.99878 156.7
[M]- 213.99988 156.7
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