CID 21940332

1-(3-bromo-4-methylphenyl)ethan-1-ol

Structural Information

Molecular Formula
C9H11BrO
SMILES
CC1=C(C=C(C=C1)C(C)O)Br
InChI
InChI=1S/C9H11BrO/c1-6-3-4-8(7(2)11)5-9(6)10/h3-5,7,11H,1-2H3
InChIKey
ALJNMHXPTJTHOG-UHFFFAOYSA-N
Compound name
1-(3-bromo-4-methylphenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

213.99933 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.00661 138.4
[M+Na]+ 236.98855 150.0
[M-H]- 212.99205 143.9
[M+NH4]+ 232.03315 160.4
[M+K]+ 252.96249 139.1
[M+H-H2O]+ 196.99659 139.2
[M+HCOO]- 258.99753 158.2
[M+CH3COO]- 273.01318 184.3
[M+Na-2H]- 234.97400 144.5
[M]+ 213.99878 156.5
[M]- 213.99988 156.5
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