CID 12993770

258886-04-3

Structural Information

Molecular Formula
C8H9BrO
SMILES
CC1=C(C=C(C=C1)Br)CO
InChI
InChI=1S/C8H9BrO/c1-6-2-3-8(9)4-7(6)5-10/h2-4,10H,5H2,1H3
InChIKey
CXASFBKJNJSOAI-UHFFFAOYSA-N
Compound name
(5-bromo-2-methylphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

432
Patents

199.98367 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.990946 133.2
[M+Na]+ 222.972888 145.6
[M-H]- 198.976394 138.8
[M+NH4]+ 218.017493 155.9
[M+K]+ 238.946828 134.5
[M+H-H2O]+ 182.980930 134.2
[M+HCOO]- 244.981871 154.3
[M+CH3COO]- 258.997521 180.7
[M+Na-2H]- 220.958336 141.1
[M]+ 199.98312142 151.7
[M]- 199.98421858 151.7
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