CID 131628547

(5-bromo-2-chloro-4-methylphenyl)methanol

Structural Information

Molecular Formula
C8H8BrClO
SMILES
CC1=CC(=C(C=C1Br)CO)Cl
InChI
InChI=1S/C8H8BrClO/c1-5-2-8(10)6(4-11)3-7(5)9/h2-3,11H,4H2,1H3
InChIKey
FHULFZLMYWYBSE-UHFFFAOYSA-N
Compound name
(5-bromo-2-chloro-4-methylphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

233.94472 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.95200 137.4
[M+Na]+ 256.93394 151.5
[M-H]- 232.93744 143.1
[M+NH4]+ 251.97854 159.9
[M+K]+ 272.90788 138.4
[M+H-H2O]+ 216.94198 139.3
[M+HCOO]- 278.94292 154.1
[M+CH3COO]- 292.95857 185.4
[M+Na-2H]- 254.91939 144.3
[M]+ 233.94417 157.9
[M]- 233.94527 157.9
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