CID 54366784

(4-bromo-3,5-dichlorophenyl)methanol

Structural Information

Molecular Formula
C7H5BrCl2O
SMILES
C1=C(C=C(C(=C1Cl)Br)Cl)CO
InChI
InChI=1S/C7H5BrCl2O/c8-7-5(9)1-4(3-11)2-6(7)10/h1-2,11H,3H2
InChIKey
UQINSWIKRCKCFX-UHFFFAOYSA-N
Compound name
(4-bromo-3,5-dichlorophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

89
Patents

253.89008 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.89736 137.1
[M+Na]+ 276.87930 152.2
[M-H]- 252.88280 142.3
[M+NH4]+ 271.92390 159.2
[M+K]+ 292.85324 137.9
[M+H-H2O]+ 236.88734 139.9
[M+HCOO]- 298.88828 149.3
[M+CH3COO]- 312.90393 187.0
[M+Na-2H]- 274.86475 144.0
[M]+ 253.88953 158.0
[M]- 253.89063 158.0
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