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

48
Patents

213.99933 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.006606 137.9
[M+Na]+ 236.988548 149.8
[M-H]- 212.992054 143.3
[M+NH4]+ 232.033153 160.0
[M+K]+ 252.962488 138.5
[M+H-H2O]+ 196.996590 138.7
[M+HCOO]- 258.997531 158.7
[M+CH3COO]- 273.013181 183.5
[M+Na-2H]- 234.973996 145.2
[M]+ 213.99878142 156.7
[M]- 213.99987858 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