CID 22280088

(4-bromo-2-methylphenyl)methanol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

537
Patents

199.98367 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.99095 133.3
[M+Na]+ 222.97289 137.6
[M+NH4]+ 218.01749 138.9
[M+K]+ 238.94683 137.1
[M-H]- 198.97639 134.2
[M+Na-2H]- 220.95834 137.5
[M]+ 199.98312 133.0
[M]- 199.98422 133.0
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