CID 13974656

4-bromo-2,3-dimethylphenol

Structural Information

Molecular Formula
C8H9BrO
SMILES
CC1=C(C=CC(=C1C)Br)O
InChI
InChI=1S/C8H9BrO/c1-5-6(2)8(10)4-3-7(5)9/h3-4,10H,1-2H3
InChIKey
MOKFDXJOXUHQNO-UHFFFAOYSA-N
Compound name
4-bromo-2,3-dimethylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

141
Patents

199.98367 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.99095 132.4
[M+Na]+ 222.97289 145.5
[M-H]- 198.97639 138.3
[M+NH4]+ 218.01749 155.3
[M+K]+ 238.94683 134.5
[M+H-H2O]+ 182.98093 133.5
[M+HCOO]- 244.98187 153.4
[M+CH3COO]- 258.99752 181.8
[M+Na-2H]- 220.95834 139.6
[M]+ 199.98312 151.1
[M]- 199.98422 151.1
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