CID 54173415

(2-bromo-5-methylphenyl)methanol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

199.98367 Da
Monoisotopic Mass

1.5
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

No literature data available for this compound.

Patent stripe

patents stripe