CID 10987288

(4-bromo-3-methylphenyl)methanol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

323
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 133.2
[M+Na]+ 222.97289 145.6
[M-H]- 198.97639 138.8
[M+NH4]+ 218.01749 155.9
[M+K]+ 238.94683 134.5
[M+H-H2O]+ 182.98093 134.2
[M+HCOO]- 244.98187 154.3
[M+CH3COO]- 258.99752 180.7
[M+Na-2H]- 220.95834 141.1
[M]+ 199.98312 151.7
[M]- 199.98422 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

literature stripe

Patent stripe

patents stripe