CID 5074766

(5-bromo-2-chlorophenyl)methanol

Structural Information

Molecular Formula
C7H6BrClO
SMILES
C1=CC(=C(C=C1Br)CO)Cl
InChI
InChI=1S/C7H6BrClO/c8-6-1-2-7(9)5(3-6)4-10/h1-3,10H,4H2
InChIKey
SCHBQPIVMBDOQF-UHFFFAOYSA-N
Compound name
(5-bromo-2-chlorophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

518
Patents

219.92906 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.936336 133.4
[M+Na]+ 242.918278 147.1
[M-H]- 218.921784 139.0
[M+NH4]+ 237.962883 156.2
[M+K]+ 258.892218 134.2
[M+H-H2O]+ 202.926320 135.3
[M+HCOO]- 264.927261 150.5
[M+CH3COO]- 278.942911 181.5
[M+Na-2H]- 240.903726 141.5
[M]+ 219.92851142 153.3
[M]- 219.92960858 153.3
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